REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2pgn_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIKRGADLIV EALEEYGTEQ VVGFIGHTSH FVADAFSKSH LGKRVINPAT DATA SEQUENCE ELGGAWMVNG YNYVKDRSAA VGAWHCVGNL LLHAAMQEAR TGRIPAVHIG DATA SEQUENCE LNSDGRLAGR SEAAQQVPWQ SFTPIARSTQ RVERLDKVGE AIHEAFRVAE DATA SEQUENCE GHPAGPAYVD IPFDLTADQI DDKALVPRGA TRAKSVLHAP NEDVREAAAQ DATA SEQUENCE LVAAKNPVIL AGGGVARSGG SEALLKLAEM VGVPVVTTST GAGVFPETHA DATA SEQUENCE LAMGSAGFCG WKSANDMMAA ADFVLVLGSR LSDWGIAQGY ITKMPKFVHV DATA SEQUENCE DTDPAVLGTF YFPLLSVVAD AKTFMEQLIE VLPGTSGFKA VRYQERENFR DATA SEQUENCE QATEFRAAWD GWVREQESGD GMPASMFRAM AEVRKVQRPE DIIVTDIGNH DATA SEQUENCE TLPMFGGAIL QRPRRLVTSM AEGILGCGFP MALGAQLAEP NSRVFLGTGD DATA SEQUENCE GALYYHFNEF RVAVEHKLPV ITMVFTNESY GANWTLMNHQ FGQNNWTEFM DATA SEQUENCE NPDWVGIAKA FGAYGESVRE TGDIAGALQR AIDSGKPALI EIPVSKTQGL DATA SEQUENCE ASDPVGGVGP NLLLKGREIP VDTGGSMYPG ENLLHLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.569 177.584 -0.025 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 I N 2.552 123.109 120.570 -0.023 0.000 2.598 3 I HA 0.251 4.421 4.170 -0.000 0.000 0.284 3 I C 0.204 176.305 176.117 -0.026 0.000 1.140 3 I CA 0.603 61.888 61.300 -0.025 0.000 1.420 3 I CB -0.097 37.890 38.000 -0.021 0.000 1.387 3 I HN 0.455 nan 8.210 nan 0.000 0.553 4 K N 6.720 127.101 120.400 -0.033 0.000 2.464 4 K HA 0.473 4.792 4.320 -0.000 0.000 0.253 4 K C -0.302 176.272 176.600 -0.043 0.000 0.933 4 K CA -0.987 55.279 56.287 -0.035 0.000 0.801 4 K CB 2.567 35.042 32.500 -0.041 0.000 1.271 4 K HN 0.457 nan 8.250 nan 0.000 0.430 5 R N -0.040 120.437 120.500 -0.039 0.000 2.643 5 R HA 0.061 4.401 4.340 -0.000 0.000 0.270 5 R C 1.629 177.890 176.300 -0.064 0.000 1.061 5 R CA 0.417 56.484 56.100 -0.055 0.000 1.107 5 R CB 0.211 30.492 30.300 -0.030 0.000 0.999 5 R HN 0.911 nan 8.270 nan 0.000 0.460 6 G N 1.514 110.263 108.800 -0.085 0.000 2.469 6 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.219 6 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.219 6 G C 1.394 176.259 174.900 -0.059 0.000 1.150 6 G CA 1.050 46.105 45.100 -0.075 0.000 0.763 6 G HN 0.696 nan 8.290 nan 0.000 0.561 7 A N 1.081 123.878 122.820 -0.039 0.000 1.908 7 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 7 A C 2.105 179.637 177.584 -0.088 0.000 1.181 7 A CA 2.122 54.149 52.037 -0.016 0.000 0.627 7 A CB -0.432 18.625 19.000 0.094 0.000 0.818 7 A HN 0.333 nan 8.150 nan 0.000 0.445 8 D N 0.086 120.444 120.400 -0.070 0.000 2.144 8 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 8 D C 1.950 178.182 176.300 -0.113 0.000 0.984 8 D CA 1.142 55.084 54.000 -0.096 0.000 0.834 8 D CB -0.326 40.439 40.800 -0.058 0.000 0.955 8 D HN 0.479 nan 8.370 nan 0.000 0.465 9 L N 0.543 121.712 121.223 -0.090 0.000 2.093 9 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 9 L C 2.567 179.382 176.870 -0.092 0.000 1.085 9 L CA 0.536 55.326 54.840 -0.083 0.000 0.755 9 L CB -0.301 41.721 42.059 -0.061 0.000 0.904 9 L HN -0.021 nan 8.230 nan 0.000 0.435 10 I N -0.778 119.733 120.570 -0.099 0.000 2.127 10 I HA -0.291 3.878 4.170 -0.000 0.000 0.241 10 I C 2.461 178.480 176.117 -0.163 0.000 1.075 10 I CA 1.279 62.520 61.300 -0.098 0.000 1.334 10 I CB -0.351 37.595 38.000 -0.090 0.000 1.040 10 I HN 0.002 nan 8.210 nan 0.000 0.405 11 V N 0.592 120.328 119.914 -0.296 0.000 2.343 11 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 11 V C 2.368 178.341 176.094 -0.202 0.000 1.051 11 V CA 1.899 63.968 62.300 -0.385 0.000 1.036 11 V CB -0.711 30.765 31.823 -0.578 0.000 0.654 11 V HN 0.436 nan 8.190 nan 0.000 0.451 12 E N 0.285 120.382 120.200 -0.173 0.000 2.058 12 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 12 E C 2.357 178.824 176.600 -0.222 0.000 0.997 12 E CA 1.429 57.733 56.400 -0.161 0.000 0.801 12 E CB -0.352 29.267 29.700 -0.135 0.000 0.746 12 E HN 0.609 nan 8.360 nan 0.000 0.450 13 A N 1.264 123.965 122.820 -0.199 0.000 1.877 13 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 13 A C 2.227 179.605 177.584 -0.343 0.000 1.186 13 A CA 1.149 53.021 52.037 -0.276 0.000 0.620 13 A CB -0.712 18.285 19.000 -0.005 0.000 0.822 13 A HN 0.128 nan 8.150 nan 0.000 0.443 14 L N -0.771 120.385 121.223 -0.112 0.000 2.012 14 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 14 L C 2.643 179.422 176.870 -0.151 0.000 1.073 14 L CA 1.807 56.634 54.840 -0.022 0.000 0.748 14 L CB -0.698 41.442 42.059 0.136 0.000 0.891 14 L HN 0.479 nan 8.230 nan 0.000 0.431 15 E N -0.152 119.962 120.200 -0.143 0.000 2.077 15 E HA -0.282 4.067 4.350 -0.000 0.000 0.193 15 E C 2.054 178.495 176.600 -0.265 0.000 0.989 15 E CA 1.317 57.636 56.400 -0.135 0.000 0.800 15 E CB -0.020 29.627 29.700 -0.090 0.000 0.746 15 E HN 0.341 nan 8.360 nan 0.000 0.452 16 E N 0.333 120.262 120.200 -0.453 0.000 2.118 16 E HA -0.188 4.161 4.350 -0.000 0.000 0.195 16 E C 0.891 177.148 176.600 -0.572 0.000 0.992 16 E CA 1.226 57.279 56.400 -0.579 0.000 0.804 16 E CB -0.111 29.087 29.700 -0.837 0.000 0.741 16 E HN 0.322 nan 8.360 nan 0.000 0.458 17 Y N -0.976 119.104 120.300 -0.367 0.000 2.470 17 Y HA 0.408 4.957 4.550 -0.000 0.000 0.284 17 Y C 1.377 176.985 175.900 -0.487 0.000 1.188 17 Y CA 0.060 57.807 58.100 -0.588 0.000 1.269 17 Y CB 0.396 38.104 38.460 -1.254 0.000 1.094 17 Y HN 0.162 nan 8.280 nan 0.000 0.518 18 G N -0.091 108.592 108.800 -0.195 0.000 2.130 18 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 18 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 18 G C 0.130 175.045 174.900 0.024 0.000 0.999 18 G CA 0.036 45.106 45.100 -0.050 0.000 0.686 18 G HN 0.246 nan 8.290 nan 0.000 0.515 19 T N 0.507 115.073 114.554 0.020 0.000 2.902 19 T HA 0.356 4.706 4.350 -0.000 0.000 0.301 19 T C 1.281 176.017 174.700 0.059 0.000 1.012 19 T CA 0.968 63.121 62.100 0.088 0.000 1.151 19 T CB 1.299 70.245 68.868 0.129 0.000 0.946 19 T HN 0.468 nan 8.240 nan 0.000 0.542 20 E N 1.217 121.432 120.200 0.024 0.000 2.364 20 E HA 0.079 4.429 4.350 -0.000 0.000 0.203 20 E C 0.529 177.084 176.600 -0.074 0.000 0.888 20 E CA 0.022 56.438 56.400 0.027 0.000 0.989 20 E CB 0.537 30.299 29.700 0.104 0.000 0.985 20 E HN 0.420 nan 8.360 nan 0.000 0.499 21 Q N 0.930 120.595 119.800 -0.225 0.000 2.305 21 Q HA 0.325 4.664 4.340 -0.000 0.000 0.271 21 Q C -1.731 174.063 176.000 -0.342 0.000 1.046 21 Q CA -0.530 55.071 55.803 -0.337 0.000 0.798 21 Q CB 2.132 30.468 28.738 -0.669 0.000 1.286 21 Q HN -0.115 nan 8.270 nan 0.000 0.435 22 V N 3.839 123.548 119.914 -0.342 0.000 2.483 22 V HA 0.632 4.751 4.120 -0.000 0.000 0.295 22 V C -0.652 175.211 176.094 -0.386 0.000 1.035 22 V CA -0.781 61.268 62.300 -0.419 0.000 0.896 22 V CB 1.928 33.358 31.823 -0.656 0.000 0.986 22 V HN 0.659 nan 8.190 nan 0.000 0.447 23 V N 3.595 123.277 119.914 -0.387 0.000 2.350 23 V HA 0.809 4.929 4.120 -0.000 0.000 0.285 23 V C 0.511 176.258 176.094 -0.579 0.000 1.014 23 V CA -0.202 61.908 62.300 -0.316 0.000 0.831 23 V CB 1.219 32.991 31.823 -0.084 0.000 1.000 23 V HN 1.001 nan 8.190 nan 0.000 0.433 24 G N 3.015 111.569 108.800 -0.410 0.000 2.571 24 G HA2 0.733 4.693 3.960 -0.000 0.000 0.304 24 G HA3 0.733 4.693 3.960 -0.000 0.000 0.304 24 G C -1.814 173.065 174.900 -0.034 0.000 1.314 24 G CA -0.550 44.314 45.100 -0.393 0.000 0.975 24 G HN 0.453 nan 8.290 nan 0.000 0.485 25 F N 1.723 121.705 119.950 0.054 0.000 2.518 25 F HA 0.538 5.064 4.527 -0.000 0.000 0.323 25 F C -0.108 175.782 175.800 0.149 0.000 1.129 25 F CA -0.995 57.133 58.000 0.212 0.000 0.920 25 F CB 1.832 41.094 39.000 0.436 0.000 1.160 25 F HN 0.377 nan 8.300 nan 0.000 0.440 26 I N 4.124 124.866 120.570 0.287 0.000 2.638 26 I HA 0.653 4.823 4.170 -0.000 0.000 0.286 26 I C 0.216 176.407 176.117 0.123 0.000 1.088 26 I CA 0.380 61.799 61.300 0.198 0.000 1.397 26 I CB 0.856 38.913 38.000 0.094 0.000 1.414 26 I HN 0.640 nan 8.210 nan 0.000 0.566 27 G N 4.953 113.667 108.800 -0.143 0.000 2.451 27 G HA2 0.146 4.105 3.960 -0.000 0.000 0.292 27 G HA3 0.146 4.105 3.960 -0.000 0.000 0.292 27 G C 0.255 174.719 174.900 -0.726 0.000 1.427 27 G CA -0.017 44.598 45.100 -0.808 0.000 0.792 27 G HN 0.774 nan 8.290 nan 0.000 0.498 28 H N -1.315 117.293 119.070 -0.770 0.000 2.422 28 H HA -0.151 4.405 4.556 -0.001 0.000 0.298 28 H C 2.117 177.085 175.328 -0.599 0.000 1.098 28 H CA 2.240 57.669 56.048 -1.031 0.000 1.315 28 H CB -0.823 28.620 29.762 -0.532 0.000 1.382 28 H HN 0.607 nan 8.280 nan 0.000 0.523 29 T N -0.406 113.708 114.554 -0.733 0.000 2.995 29 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 29 T C 1.960 176.662 174.700 0.004 0.000 1.091 29 T CA 0.994 62.708 62.100 -0.644 0.000 1.128 29 T CB -0.448 68.055 68.868 -0.609 0.000 0.891 29 T HN 0.503 nan 8.240 nan 0.000 0.492 30 S N -0.546 115.200 115.700 0.076 0.000 2.540 30 S HA 0.208 4.678 4.470 -0.000 0.000 0.218 30 S C 1.375 176.124 174.600 0.248 0.000 0.977 30 S CA -0.516 57.802 58.200 0.197 0.000 0.918 30 S CB -0.787 62.537 63.200 0.207 0.000 0.806 30 S HN 0.703 nan 8.310 nan 0.000 0.496 31 H N 0.549 119.667 119.070 0.081 0.000 2.319 31 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 31 H C 1.245 176.531 175.328 -0.069 0.000 1.092 31 H CA 1.952 57.963 56.048 -0.062 0.000 1.302 31 H CB -0.187 29.444 29.762 -0.219 0.000 1.373 31 H HN 0.484 nan 8.280 nan 0.000 0.497 32 F N -0.036 120.080 119.950 0.277 0.000 2.146 32 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 32 F C 2.539 178.406 175.800 0.111 0.000 1.096 32 F CA 0.574 58.678 58.000 0.172 0.000 1.275 32 F CB -0.640 38.454 39.000 0.156 0.000 1.008 32 F HN -0.064 nan 8.300 nan 0.000 0.480 33 V N 0.187 120.284 119.914 0.306 0.000 2.295 33 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 33 V C 2.603 178.838 176.094 0.234 0.000 1.049 33 V CA 1.855 64.264 62.300 0.182 0.000 1.024 33 V CB -1.346 30.598 31.823 0.202 0.000 0.648 33 V HN 0.377 nan 8.190 nan 0.000 0.447 34 A N 0.011 122.983 122.820 0.253 0.000 1.902 34 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 34 A C 2.038 179.718 177.584 0.160 0.000 1.181 34 A CA 2.228 54.402 52.037 0.230 0.000 0.623 34 A CB -0.729 18.352 19.000 0.135 0.000 0.818 34 A HN 0.630 nan 8.150 nan 0.000 0.443 35 D N -0.380 120.079 120.400 0.099 0.000 2.117 35 D HA -0.045 4.594 4.640 -0.000 0.000 0.197 35 D C 2.039 178.380 176.300 0.068 0.000 0.987 35 D CA 1.637 55.673 54.000 0.059 0.000 0.829 35 D CB -0.176 40.642 40.800 0.031 0.000 0.961 35 D HN 0.346 nan 8.370 nan 0.000 0.460 36 A N -0.500 122.354 122.820 0.058 0.000 1.877 36 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 36 A C 2.170 179.732 177.584 -0.037 0.000 1.186 36 A CA 1.155 53.177 52.037 -0.024 0.000 0.620 36 A CB -1.267 17.671 19.000 -0.104 0.000 0.822 36 A HN 0.398 nan 8.150 nan 0.000 0.443 37 F N 1.170 121.128 119.950 0.013 0.000 2.171 37 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 37 F C 2.951 178.745 175.800 -0.010 0.000 1.090 37 F CA 1.549 59.545 58.000 -0.006 0.000 1.293 37 F CB -0.098 38.888 39.000 -0.023 0.000 1.013 37 F HN 0.383 nan 8.300 nan 0.000 0.486 38 S N -0.131 115.671 115.700 0.170 0.000 2.442 38 S HA -0.179 4.290 4.470 -0.000 0.000 0.236 38 S C 1.414 176.051 174.600 0.061 0.000 1.007 38 S CA 0.949 59.202 58.200 0.087 0.000 0.965 38 S CB -0.459 62.772 63.200 0.052 0.000 0.773 38 S HN 0.400 nan 8.310 nan 0.000 0.504 39 K N 1.644 122.077 120.400 0.055 0.000 2.410 39 K HA 0.225 4.544 4.320 -0.000 0.000 0.200 39 K C 0.231 176.854 176.600 0.039 0.000 1.023 39 K CA 0.107 56.415 56.287 0.035 0.000 1.149 39 K CB 0.591 33.103 32.500 0.020 0.000 0.859 39 K HN 0.540 nan 8.250 nan 0.000 0.514 40 S N -1.773 113.966 115.700 0.065 0.000 2.634 40 S HA 0.161 4.631 4.470 -0.000 0.000 0.296 40 S C 0.739 175.412 174.600 0.122 0.000 1.104 40 S CA -0.810 57.440 58.200 0.083 0.000 0.920 40 S CB 1.582 64.828 63.200 0.077 0.000 1.111 40 S HN 0.274 nan 8.310 nan 0.000 0.493 41 H N 1.251 120.340 119.070 0.031 0.000 2.319 41 H HA -0.005 4.551 4.556 -0.000 0.000 0.297 41 H C 1.476 176.833 175.328 0.049 0.000 1.097 41 H CA 2.408 58.474 56.048 0.029 0.000 1.285 41 H CB -0.274 29.495 29.762 0.012 0.000 1.368 41 H HN 0.571 nan 8.280 nan 0.000 0.495 42 L N -0.200 121.087 121.223 0.108 0.000 2.265 42 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 42 L C 2.630 179.507 176.870 0.011 0.000 1.117 42 L CA 0.858 55.729 54.840 0.051 0.000 0.782 42 L CB -0.579 41.625 42.059 0.242 0.000 0.914 42 L HN 0.587 nan 8.230 nan 0.000 0.441 43 G N -0.188 108.671 108.800 0.098 0.000 2.479 43 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 43 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 43 G C 1.616 176.492 174.900 -0.041 0.000 1.115 43 G CA 0.426 45.556 45.100 0.050 0.000 0.757 43 G HN 0.352 nan 8.290 nan 0.000 0.560 44 K N -0.244 120.108 120.400 -0.079 0.000 2.209 44 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 44 K C 0.974 177.523 176.600 -0.086 0.000 1.048 44 K CA 0.541 56.775 56.287 -0.089 0.000 0.940 44 K CB 0.071 32.490 32.500 -0.135 0.000 0.729 44 K HN 0.123 nan 8.250 nan 0.000 0.451 45 R N 1.306 121.732 120.500 -0.122 0.000 2.724 45 R HA 0.239 4.578 4.340 -0.000 0.000 0.284 45 R C -1.345 174.846 176.300 -0.181 0.000 1.481 45 R CA -0.161 55.868 56.100 -0.119 0.000 1.652 45 R CB 1.173 31.400 30.300 -0.122 0.000 1.175 45 R HN -0.134 nan 8.270 nan 0.000 0.613 46 V N 3.781 123.600 119.914 -0.157 0.000 2.444 46 V HA 0.391 4.511 4.120 -0.000 0.000 0.294 46 V C 0.084 176.087 176.094 -0.152 0.000 1.022 46 V CA -0.837 61.328 62.300 -0.225 0.000 0.850 46 V CB 2.248 33.911 31.823 -0.267 0.000 0.992 46 V HN 0.369 nan 8.190 nan 0.000 0.426 47 I N 4.035 124.471 120.570 -0.223 0.000 2.331 47 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 47 I C 0.198 176.237 176.117 -0.129 0.000 0.998 47 I CA -0.241 60.920 61.300 -0.232 0.000 1.267 47 I CB 1.123 38.959 38.000 -0.274 0.000 1.386 47 I HN 0.666 nan 8.210 nan 0.000 0.476 48 N N 8.323 126.982 118.700 -0.068 0.000 2.589 48 N HA 0.298 5.038 4.740 -0.000 0.000 0.232 48 N C -2.412 173.050 175.510 -0.079 0.000 1.015 48 N CA -1.107 51.870 53.050 -0.121 0.000 0.931 48 N CB 1.003 39.391 38.487 -0.164 0.000 1.150 48 N HN 0.418 nan 8.380 nan 0.000 0.512 49 P HA 0.111 nan 4.420 nan 0.000 0.276 49 P C 0.282 177.680 177.300 0.164 0.000 1.252 49 P CA -0.352 62.822 63.100 0.124 0.000 0.802 49 P CB 1.204 33.053 31.700 0.248 0.000 1.035 50 A N 1.563 124.508 122.820 0.207 0.000 1.940 50 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 50 A C 1.200 179.034 177.584 0.416 0.000 1.176 50 A CA 2.201 54.395 52.037 0.261 0.000 0.631 50 A CB -1.304 17.825 19.000 0.215 0.000 0.814 50 A HN 0.778 nan 8.150 nan 0.000 0.446 51 T N -5.131 109.660 114.554 0.396 0.000 2.864 51 T HA 0.564 4.913 4.350 -0.000 0.000 0.299 51 T C 0.108 174.961 174.700 0.256 0.000 1.166 51 T CA -0.159 62.137 62.100 0.326 0.000 1.007 51 T CB 1.617 70.608 68.868 0.204 0.000 1.219 51 T HN 0.066 nan 8.240 nan 0.000 0.506 52 E N 0.137 120.338 120.200 0.000 0.000 2.106 52 E HA 0.036 4.385 4.350 -0.000 0.000 0.192 52 E C 1.794 178.190 176.600 -0.340 0.000 0.984 52 E CA 0.751 56.967 56.400 -0.306 0.000 0.806 52 E CB -0.224 29.110 29.700 -0.610 0.000 0.750 52 E HN 0.521 nan 8.360 nan 0.000 0.458 53 L N 0.344 121.472 121.223 -0.158 0.000 2.056 53 L HA 0.030 4.369 4.340 -0.000 0.000 0.207 53 L C 2.084 178.882 176.870 -0.120 0.000 1.078 53 L CA 2.200 56.957 54.840 -0.138 0.000 0.749 53 L CB -1.027 41.077 42.059 0.076 0.000 0.901 53 L HN 0.163 nan 8.230 nan 0.000 0.433 54 G N -0.827 107.948 108.800 -0.041 0.000 2.476 54 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.218 54 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.218 54 G C 1.516 176.454 174.900 0.064 0.000 1.164 54 G CA 0.678 45.728 45.100 -0.083 0.000 0.768 54 G HN 0.601 nan 8.290 nan 0.000 0.560 55 G N 0.902 109.785 108.800 0.140 0.000 2.408 55 G HA2 0.083 4.043 3.960 -0.000 0.000 0.217 55 G HA3 0.083 4.043 3.960 -0.000 0.000 0.217 55 G C 2.030 177.103 174.900 0.288 0.000 1.150 55 G CA 1.446 46.715 45.100 0.281 0.000 0.776 55 G HN 0.668 nan 8.290 nan 0.000 0.542 56 A N 0.100 122.987 122.820 0.111 0.000 1.933 56 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 56 A C 2.177 179.766 177.584 0.009 0.000 1.175 56 A CA 1.232 53.313 52.037 0.073 0.000 0.628 56 A CB -0.662 18.174 19.000 -0.273 0.000 0.814 56 A HN 0.556 nan 8.150 nan 0.000 0.444 57 W N -0.313 120.982 121.300 -0.009 0.000 2.363 57 W HA -0.137 4.522 4.660 -0.001 0.000 0.296 57 W C 2.488 179.013 176.519 0.009 0.000 1.212 57 W CA 1.115 58.444 57.345 -0.027 0.000 1.260 57 W CB -0.269 29.115 29.460 -0.127 0.000 1.131 57 W HN 0.263 nan 8.180 nan 0.000 0.530 58 M N -0.503 119.237 119.600 0.234 0.000 2.108 58 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 58 M C 1.878 178.287 176.300 0.182 0.000 1.066 58 M CA 1.412 56.805 55.300 0.155 0.000 1.107 58 M CB -1.103 31.550 32.600 0.089 0.000 1.356 58 M HN -0.169 nan 8.290 nan 0.000 0.406 59 V N 1.057 121.073 119.914 0.170 0.000 2.332 59 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 59 V C 2.048 178.247 176.094 0.174 0.000 1.055 59 V CA 1.906 64.279 62.300 0.122 0.000 1.038 59 V CB -0.896 30.984 31.823 0.095 0.000 0.651 59 V HN 0.474 nan 8.190 nan 0.000 0.450 60 N N 0.836 119.660 118.700 0.207 0.000 2.084 60 N HA -0.113 4.626 4.740 -0.000 0.000 0.190 60 N C 1.897 177.572 175.510 0.275 0.000 1.030 60 N CA 1.694 54.888 53.050 0.240 0.000 0.849 60 N CB -0.837 37.824 38.487 0.291 0.000 1.012 60 N HN 0.508 nan 8.380 nan 0.000 0.423 61 G N -0.581 108.375 108.800 0.260 0.000 2.418 61 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 61 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 61 G C 1.560 176.587 174.900 0.211 0.000 1.158 61 G CA 0.477 45.705 45.100 0.212 0.000 0.771 61 G HN 0.367 nan 8.290 nan 0.000 0.545 62 Y N 1.618 121.970 120.300 0.088 0.000 2.128 62 Y HA -0.156 4.394 4.550 -0.001 0.000 0.284 62 Y C 2.680 178.618 175.900 0.062 0.000 1.154 62 Y CA 1.948 60.080 58.100 0.054 0.000 1.149 62 Y CB 0.120 38.593 38.460 0.023 0.000 0.976 62 Y HN 0.154 nan 8.280 nan 0.000 0.505 63 N N -1.125 117.771 118.700 0.327 0.000 2.416 63 N HA -0.151 4.588 4.740 -0.000 0.000 0.177 63 N C 1.463 177.055 175.510 0.137 0.000 1.036 63 N CA 0.904 54.087 53.050 0.223 0.000 0.901 63 N CB -0.735 37.845 38.487 0.154 0.000 0.976 63 N HN 0.487 nan 8.380 nan 0.000 0.444 64 Y N 2.134 122.488 120.300 0.091 0.000 2.128 64 Y HA -0.223 4.326 4.550 -0.000 0.000 0.284 64 Y C 2.160 178.080 175.900 0.035 0.000 1.154 64 Y CA 1.601 59.738 58.100 0.062 0.000 1.149 64 Y CB -0.342 38.164 38.460 0.076 0.000 0.976 64 Y HN -0.047 nan 8.280 nan 0.000 0.505 65 V N -1.882 118.003 119.914 -0.049 0.000 2.871 65 V HA -0.080 4.040 4.120 -0.000 0.000 0.256 65 V C 1.808 177.818 176.094 -0.140 0.000 1.082 65 V CA 1.730 63.952 62.300 -0.131 0.000 1.105 65 V CB -0.439 31.365 31.823 -0.032 0.000 0.713 65 V HN 0.255 nan 8.190 nan 0.000 0.473 66 K N -0.766 119.585 120.400 -0.081 0.000 2.323 66 K HA 0.047 4.366 4.320 -0.000 0.000 0.197 66 K C 0.517 177.097 176.600 -0.034 0.000 1.043 66 K CA 0.631 56.898 56.287 -0.034 0.000 0.997 66 K CB -0.179 32.354 32.500 0.054 0.000 0.807 66 K HN 0.467 nan 8.250 nan 0.000 0.497 67 D N 1.460 121.817 120.400 -0.072 0.000 2.837 67 D HA -0.184 4.456 4.640 -0.000 0.000 0.230 67 D C -0.179 176.113 176.300 -0.013 0.000 1.152 67 D CA 1.178 55.136 54.000 -0.070 0.000 0.736 67 D CB -0.583 40.164 40.800 -0.087 0.000 1.084 67 D HN 0.529 nan 8.370 nan 0.000 0.429 68 R N -2.479 118.039 120.500 0.030 0.000 2.733 68 R HA 0.486 4.826 4.340 -0.000 0.000 0.272 68 R C -0.476 175.876 176.300 0.086 0.000 1.029 68 R CA -0.857 55.280 56.100 0.062 0.000 0.888 68 R CB 0.809 31.161 30.300 0.088 0.000 1.251 68 R HN -0.138 nan 8.270 nan 0.000 0.464 69 S N 0.161 115.920 115.700 0.098 0.000 3.983 69 S HA 0.230 4.699 4.470 -0.000 0.000 0.194 69 S C 0.934 175.621 174.600 0.145 0.000 1.464 69 S CA 0.159 58.393 58.200 0.057 0.000 1.021 69 S CB -0.445 62.674 63.200 -0.135 0.000 1.424 69 S HN 0.603 nan 8.310 nan 0.000 0.473 70 A N 1.845 124.749 122.820 0.140 0.000 2.014 70 A HA 0.488 4.807 4.320 -0.000 0.000 0.218 70 A C 1.197 178.705 177.584 -0.126 0.000 1.163 70 A CA 0.829 52.941 52.037 0.125 0.000 0.652 70 A CB -0.238 18.933 19.000 0.284 0.000 0.808 70 A HN 0.808 nan 8.150 nan 0.000 0.449 71 A N -0.084 122.571 122.820 -0.275 0.000 2.312 71 A HA 0.605 4.925 4.320 -0.000 0.000 0.326 71 A C -0.182 177.250 177.584 -0.253 0.000 1.172 71 A CA 0.043 51.812 52.037 -0.447 0.000 0.821 71 A CB 0.888 19.517 19.000 -0.619 0.000 1.166 71 A HN 1.283 nan 8.150 nan 0.000 0.493 72 V N -0.036 119.720 119.914 -0.264 0.000 2.789 72 V HA 0.929 5.048 4.120 -0.000 0.000 0.311 72 V C 0.163 176.045 176.094 -0.353 0.000 1.073 72 V CA -0.077 62.057 62.300 -0.278 0.000 0.921 72 V CB 1.402 33.146 31.823 -0.131 0.000 1.009 72 V HN 1.363 nan 8.190 nan 0.000 0.426 73 G N 1.977 110.521 108.800 -0.428 0.000 2.377 73 G HA2 0.779 4.739 3.960 -0.000 0.000 0.299 73 G HA3 0.779 4.739 3.960 -0.000 0.000 0.299 73 G C -0.330 174.088 174.900 -0.804 0.000 1.150 73 G CA -0.277 44.474 45.100 -0.580 0.000 0.847 73 G HN 1.863 nan 8.290 nan 0.000 0.501 74 A N 1.525 123.554 122.820 -1.319 0.000 2.446 74 A HA 0.686 5.006 4.320 -0.000 0.000 0.282 74 A C -1.513 175.693 177.584 -0.630 0.000 1.102 74 A CA -0.683 50.944 52.037 -0.683 0.000 0.737 74 A CB 0.673 19.534 19.000 -0.232 0.000 1.212 74 A HN 0.696 nan 8.150 nan 0.000 0.434 75 W N 1.094 122.489 121.300 0.159 0.000 2.839 75 W HA 0.512 5.171 4.660 -0.001 0.000 0.334 75 W C 0.210 176.827 176.519 0.163 0.000 1.064 75 W CA -0.727 56.724 57.345 0.176 0.000 1.236 75 W CB 1.051 30.597 29.460 0.143 0.000 1.405 75 W HN 0.876 nan 8.180 nan 0.000 0.478 76 H N 2.772 122.007 119.070 0.275 0.000 3.034 76 H HA 0.019 4.575 4.556 -0.000 0.000 0.324 76 H C 1.559 176.932 175.328 0.075 0.000 1.015 76 H CA 0.578 56.678 56.048 0.087 0.000 1.429 76 H CB 0.789 30.567 29.762 0.027 0.000 1.429 76 H HN 0.804 nan 8.280 nan 0.000 0.585 77 C N 3.063 122.158 119.300 -0.341 0.000 2.154 77 C HA -0.364 4.096 4.460 -0.000 0.000 0.230 77 C C 2.688 177.591 174.990 -0.145 0.000 1.065 77 C CA 2.372 61.227 59.018 -0.272 0.000 1.789 77 C CB -1.982 25.508 27.740 -0.417 0.000 1.421 77 C HN 0.932 nan 8.230 nan 0.000 0.349 78 V N 1.355 121.134 119.914 -0.224 0.000 2.720 78 V HA 0.190 4.310 4.120 -0.000 0.000 0.256 78 V C 2.520 178.576 176.094 -0.064 0.000 1.082 78 V CA 2.435 64.683 62.300 -0.087 0.000 1.101 78 V CB -2.046 29.739 31.823 -0.065 0.000 0.693 78 V HN 1.083 nan 8.190 nan 0.000 0.479 79 G N 0.725 109.486 108.800 -0.066 0.000 2.448 79 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 79 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 79 G C 1.386 176.187 174.900 -0.164 0.000 1.127 79 G CA 0.822 45.840 45.100 -0.137 0.000 0.766 79 G HN 0.581 nan 8.290 nan 0.000 0.552 80 N N 0.577 119.256 118.700 -0.035 0.000 2.272 80 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 80 N C 2.093 177.624 175.510 0.036 0.000 1.014 80 N CA 0.659 53.700 53.050 -0.014 0.000 0.870 80 N CB -0.183 38.443 38.487 0.232 0.000 0.975 80 N HN 0.313 nan 8.380 nan 0.000 0.433 81 L N 0.398 121.646 121.223 0.043 0.000 2.450 81 L HA -0.107 4.232 4.340 -0.000 0.000 0.224 81 L C 1.369 178.298 176.870 0.098 0.000 1.149 81 L CA 0.449 55.346 54.840 0.096 0.000 0.816 81 L CB -0.129 41.934 42.059 0.006 0.000 0.932 81 L HN 0.069 nan 8.230 nan 0.000 0.449 82 L N -1.175 120.024 121.223 -0.040 0.000 2.592 82 L HA 0.004 4.343 4.340 -0.000 0.000 0.227 82 L C 1.867 178.667 176.870 -0.117 0.000 1.127 82 L CA 0.693 55.493 54.840 -0.067 0.000 0.884 82 L CB -0.109 41.869 42.059 -0.135 0.000 1.065 82 L HN 0.164 nan 8.230 nan 0.000 0.457 83 L N -1.791 119.316 121.223 -0.193 0.000 2.341 83 L HA -0.077 4.262 4.340 -0.000 0.000 0.214 83 L C 2.289 178.993 176.870 -0.277 0.000 1.115 83 L CA 0.389 54.992 54.840 -0.396 0.000 0.820 83 L CB -0.555 41.122 42.059 -0.636 0.000 0.944 83 L HN 0.313 nan 8.230 nan 0.000 0.452 84 H N 0.334 119.347 119.070 -0.094 0.000 2.387 84 H HA -0.142 4.414 4.556 -0.001 0.000 0.299 84 H C 2.332 177.585 175.328 -0.124 0.000 1.099 84 H CA 1.435 57.449 56.048 -0.057 0.000 1.315 84 H CB -0.276 29.440 29.762 -0.075 0.000 1.380 84 H HN 0.350 nan 8.280 nan 0.000 0.513 85 A N 0.990 123.803 122.820 -0.012 0.000 1.858 85 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 85 A C 2.589 180.009 177.584 -0.273 0.000 1.190 85 A CA 1.862 53.870 52.037 -0.049 0.000 0.617 85 A CB -1.247 17.794 19.000 0.069 0.000 0.827 85 A HN 0.478 nan 8.150 nan 0.000 0.443 86 A N -0.956 121.486 122.820 -0.631 0.000 1.933 86 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 86 A C 2.292 179.568 177.584 -0.513 0.000 1.175 86 A CA 1.926 53.316 52.037 -1.079 0.000 0.628 86 A CB -0.535 17.722 19.000 -1.238 0.000 0.814 86 A HN 0.599 nan 8.150 nan 0.000 0.444 87 M N -1.175 118.212 119.600 -0.355 0.000 2.159 87 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 87 M C 2.342 178.576 176.300 -0.109 0.000 1.063 87 M CA 2.257 57.427 55.300 -0.217 0.000 1.110 87 M CB -0.092 32.358 32.600 -0.251 0.000 1.374 87 M HN 0.537 nan 8.290 nan 0.000 0.411 88 Q N 0.622 120.371 119.800 -0.086 0.000 2.079 88 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 88 Q C 1.676 177.670 176.000 -0.010 0.000 0.974 88 Q CA 2.245 58.033 55.803 -0.025 0.000 0.840 88 Q CB -0.253 28.483 28.738 -0.002 0.000 0.898 88 Q HN 0.554 nan 8.270 nan 0.000 0.430 89 E N -0.082 120.109 120.200 -0.014 0.000 2.085 89 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 89 E C 1.713 178.346 176.600 0.056 0.000 0.994 89 E CA 1.819 58.257 56.400 0.063 0.000 0.801 89 E CB -0.660 29.159 29.700 0.198 0.000 0.743 89 E HN 0.429 nan 8.360 nan 0.000 0.453 90 A N 0.929 123.758 122.820 0.015 0.000 1.933 90 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 90 A C 2.290 179.898 177.584 0.040 0.000 1.175 90 A CA 1.692 53.756 52.037 0.044 0.000 0.628 90 A CB -0.635 18.382 19.000 0.029 0.000 0.814 90 A HN 0.284 nan 8.150 nan 0.000 0.444 91 R N -0.232 120.281 120.500 0.022 0.000 2.075 91 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 91 R C 2.364 178.684 176.300 0.034 0.000 1.140 91 R CA 2.404 58.519 56.100 0.025 0.000 0.928 91 R CB -0.735 29.576 30.300 0.019 0.000 0.834 91 R HN 0.605 nan 8.270 nan 0.000 0.429 92 T N -2.821 111.753 114.554 0.033 0.000 2.951 92 T HA 0.027 4.377 4.350 -0.000 0.000 0.268 92 T C 1.788 176.520 174.700 0.053 0.000 1.073 92 T CA 0.907 63.029 62.100 0.036 0.000 1.134 92 T CB -0.123 68.756 68.868 0.019 0.000 0.884 92 T HN 0.405 nan 8.240 nan 0.000 0.479 93 G N 0.991 109.832 108.800 0.068 0.000 3.088 93 G HA2 0.168 4.128 3.960 -0.000 0.000 0.212 93 G HA3 0.168 4.128 3.960 -0.000 0.000 0.212 93 G C 0.134 175.104 174.900 0.115 0.000 1.173 93 G CA -0.756 44.403 45.100 0.097 0.000 0.779 93 G HN 0.295 nan 8.290 nan 0.000 0.540 94 R N -0.700 119.848 120.500 0.080 0.000 3.267 94 R HA -0.159 4.180 4.340 -0.000 0.000 0.254 94 R C -0.370 175.974 176.300 0.074 0.000 0.993 94 R CA 0.325 56.460 56.100 0.058 0.000 0.670 94 R CB -3.044 27.284 30.300 0.046 0.000 1.125 94 R HN 0.505 nan 8.270 nan 0.000 0.434 95 I N 1.857 122.480 120.570 0.088 0.000 2.330 95 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 95 I C -1.808 174.336 176.117 0.044 0.000 1.001 95 I CA -2.423 58.939 61.300 0.104 0.000 1.193 95 I CB 1.867 39.968 38.000 0.168 0.000 1.345 95 I HN -0.181 nan 8.210 nan 0.000 0.461 96 P HA 0.228 nan 4.420 nan 0.000 0.271 96 P C -0.934 176.345 177.300 -0.035 0.000 1.220 96 P CA -0.083 63.003 63.100 -0.024 0.000 0.768 96 P CB 0.996 32.682 31.700 -0.024 0.000 0.848 97 A N 3.157 125.927 122.820 -0.083 0.000 2.491 97 A HA 0.534 4.854 4.320 -0.000 0.000 0.293 97 A C -1.273 176.180 177.584 -0.219 0.000 1.047 97 A CA -0.528 51.432 52.037 -0.129 0.000 0.735 97 A CB 1.242 20.241 19.000 -0.000 0.000 1.281 97 A HN 0.253 nan 8.150 nan 0.000 0.398 98 V N 4.049 123.728 119.914 -0.392 0.000 2.417 98 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 98 V C -0.631 175.208 176.094 -0.425 0.000 1.024 98 V CA -0.481 61.570 62.300 -0.414 0.000 0.861 98 V CB 1.532 32.918 31.823 -0.729 0.000 0.985 98 V HN 0.884 nan 8.190 nan 0.000 0.436 99 H N 5.095 124.115 119.070 -0.083 0.000 2.589 99 H HA 0.485 5.041 4.556 -0.001 0.000 0.335 99 H C -1.033 174.240 175.328 -0.092 0.000 1.019 99 H CA -0.633 55.441 56.048 0.044 0.000 1.213 99 H CB 2.256 32.147 29.762 0.215 0.000 1.472 99 H HN 0.345 nan 8.280 nan 0.000 0.508 100 I N 2.834 123.404 120.570 -0.001 0.000 2.328 100 I HA 0.202 4.371 4.170 -0.000 0.000 0.287 100 I C 1.020 177.143 176.117 0.009 0.000 1.012 100 I CA -0.398 60.844 61.300 -0.097 0.000 1.195 100 I CB 0.954 38.921 38.000 -0.056 0.000 1.350 100 I HN 0.593 nan 8.210 nan 0.000 0.464 101 G N 7.232 115.974 108.800 -0.097 0.000 2.335 101 G HA2 0.529 4.489 3.960 -0.000 0.000 0.316 101 G HA3 0.529 4.489 3.960 -0.000 0.000 0.316 101 G C -0.518 174.438 174.900 0.094 0.000 1.129 101 G CA -0.404 44.790 45.100 0.155 0.000 0.899 101 G HN 0.317 nan 8.290 nan 0.000 0.448 102 L N 3.266 124.574 121.223 0.141 0.000 2.255 102 L HA 0.316 4.655 4.340 -0.000 0.000 0.289 102 L C 0.450 177.378 176.870 0.097 0.000 1.046 102 L CA -0.888 54.026 54.840 0.124 0.000 0.816 102 L CB 0.385 42.535 42.059 0.151 0.000 1.197 102 L HN 0.456 nan 8.230 nan 0.000 0.427 103 N N 0.887 119.664 118.700 0.129 0.000 2.379 103 N HA 0.244 4.984 4.740 -0.000 0.000 0.260 103 N C 0.106 175.709 175.510 0.156 0.000 1.254 103 N CA -0.158 52.968 53.050 0.128 0.000 0.958 103 N CB 1.061 39.654 38.487 0.176 0.000 1.208 103 N HN 0.476 nan 8.380 nan 0.000 0.532 104 S N 0.064 115.848 115.700 0.140 0.000 2.606 104 S HA -0.033 4.436 4.470 -0.000 0.000 0.257 104 S C -0.161 174.677 174.600 0.395 0.000 1.327 104 S CA -0.431 57.924 58.200 0.258 0.000 0.984 104 S CB 0.180 63.481 63.200 0.169 0.000 0.941 104 S HN 0.547 nan 8.310 nan 0.000 0.576 105 D N 0.643 121.334 120.400 0.484 0.000 2.586 105 D HA 0.026 4.666 4.640 -0.000 0.000 0.234 105 D C 1.369 177.752 176.300 0.140 0.000 1.132 105 D CA 0.455 54.597 54.000 0.237 0.000 0.860 105 D CB 0.551 41.466 40.800 0.192 0.000 1.159 105 D HN 0.572 nan 8.370 nan 0.000 0.490 106 G N 4.274 113.119 108.800 0.076 0.000 2.462 106 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 106 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 106 G C 1.578 176.507 174.900 0.049 0.000 1.121 106 G CA 0.861 45.996 45.100 0.058 0.000 0.758 106 G HN 0.514 nan 8.290 nan 0.000 0.559 107 R N -0.321 120.199 120.500 0.033 0.000 2.127 107 R HA 0.024 4.364 4.340 -0.000 0.000 0.238 107 R C 1.847 178.176 176.300 0.050 0.000 1.134 107 R CA 0.988 57.107 56.100 0.031 0.000 0.975 107 R CB -0.428 29.883 30.300 0.018 0.000 0.865 107 R HN 0.336 nan 8.270 nan 0.000 0.447 108 L N 0.073 121.339 121.223 0.071 0.000 2.567 108 L HA 0.394 4.733 4.340 -0.000 0.000 0.225 108 L C 0.541 177.458 176.870 0.079 0.000 1.119 108 L CA 0.448 55.334 54.840 0.076 0.000 0.871 108 L CB -0.615 41.500 42.059 0.094 0.000 1.036 108 L HN 0.138 nan 8.230 nan 0.000 0.459 109 A N -0.473 122.400 122.820 0.087 0.000 2.498 109 A HA 0.433 4.753 4.320 -0.000 0.000 0.239 109 A C 1.586 179.218 177.584 0.079 0.000 1.068 109 A CA 0.615 52.710 52.037 0.098 0.000 0.766 109 A CB -0.395 18.676 19.000 0.119 0.000 1.003 109 A HN 0.656 nan 8.150 nan 0.000 0.497 110 G N 1.382 110.228 108.800 0.076 0.000 2.179 110 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 110 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 110 G C 0.412 175.337 174.900 0.041 0.000 0.977 110 G CA 0.549 45.683 45.100 0.057 0.000 0.641 110 G HN 0.929 nan 8.290 nan 0.000 0.533 111 R N 0.831 121.357 120.500 0.043 0.000 2.340 111 R HA 0.449 4.789 4.340 -0.000 0.000 0.300 111 R C 1.931 178.247 176.300 0.027 0.000 1.069 111 R CA 0.354 56.474 56.100 0.034 0.000 0.984 111 R CB 0.927 31.250 30.300 0.038 0.000 1.003 111 R HN 0.404 nan 8.270 nan 0.000 0.459 112 S N 1.745 117.456 115.700 0.019 0.000 2.423 112 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 112 S C 0.735 175.343 174.600 0.013 0.000 1.014 112 S CA 0.730 58.938 58.200 0.012 0.000 0.965 112 S CB 0.179 63.383 63.200 0.007 0.000 0.785 112 S HN 0.561 nan 8.310 nan 0.000 0.495 113 E N 1.618 121.828 120.200 0.017 0.000 2.496 113 E HA 0.517 4.867 4.350 -0.000 0.000 0.200 113 E C 0.258 176.874 176.600 0.025 0.000 1.016 113 E CA 0.000 56.411 56.400 0.018 0.000 0.962 113 E CB 0.117 29.826 29.700 0.016 0.000 1.071 113 E HN 0.617 nan 8.360 nan 0.000 0.457 114 A N 1.106 123.945 122.820 0.031 0.000 2.386 114 A HA 0.587 4.907 4.320 -0.000 0.000 0.248 114 A C 0.306 177.915 177.584 0.041 0.000 1.082 114 A CA 0.011 52.074 52.037 0.043 0.000 0.789 114 A CB 0.504 19.537 19.000 0.054 0.000 1.025 114 A HN 0.193 nan 8.150 nan 0.000 0.490 115 A N 1.111 123.962 122.820 0.052 0.000 2.305 115 A HA 0.579 4.899 4.320 -0.000 0.000 0.322 115 A C 0.419 178.039 177.584 0.059 0.000 1.187 115 A CA -0.265 51.802 52.037 0.051 0.000 0.825 115 A CB 0.190 19.223 19.000 0.056 0.000 1.164 115 A HN 1.160 nan 8.150 nan 0.000 0.498 116 Q N -0.244 119.579 119.800 0.040 0.000 2.494 116 Q HA -0.150 4.190 4.340 -0.000 0.000 0.266 116 Q C -0.551 175.470 176.000 0.034 0.000 1.053 116 Q CA 0.721 56.536 55.803 0.020 0.000 1.029 116 Q CB -1.195 27.551 28.738 0.013 0.000 1.423 116 Q HN 0.810 nan 8.270 nan 0.000 0.516 117 Q N 1.005 120.838 119.800 0.054 0.000 2.389 117 Q HA 0.280 4.620 4.340 -0.000 0.000 0.244 117 Q C -0.119 175.928 176.000 0.078 0.000 1.056 117 Q CA -0.028 55.825 55.803 0.084 0.000 0.908 117 Q CB 1.186 29.976 28.738 0.086 0.000 1.273 117 Q HN 0.093 nan 8.270 nan 0.000 0.471 118 V N 6.171 126.153 119.914 0.113 0.000 2.508 118 V HA 0.114 4.234 4.120 -0.000 0.000 0.281 118 V C -1.735 174.434 176.094 0.126 0.000 1.041 118 V CA -1.193 61.173 62.300 0.111 0.000 1.016 118 V CB 0.901 32.823 31.823 0.165 0.000 0.984 118 V HN 0.553 nan 8.190 nan 0.000 0.478 119 P HA 0.033 nan 4.420 nan 0.000 0.260 119 P C 0.966 178.155 177.300 -0.185 0.000 1.651 119 P CA -0.293 62.706 63.100 -0.169 0.000 1.139 119 P CB 0.013 31.591 31.700 -0.205 0.000 1.756 120 W N 3.494 124.837 121.300 0.072 0.000 2.421 120 W HA -0.121 4.539 4.660 -0.001 0.000 0.270 120 W C 0.743 177.329 176.519 0.112 0.000 1.233 120 W CA 0.322 57.793 57.345 0.210 0.000 1.226 120 W CB -1.390 28.290 29.460 0.366 0.000 1.121 120 W HN 0.270 nan 8.180 nan 0.000 0.579 121 Q N 1.547 120.924 119.800 -0.704 0.000 2.364 121 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 121 Q C 2.494 178.329 176.000 -0.275 0.000 0.977 121 Q CA 2.166 57.637 55.803 -0.553 0.000 0.885 121 Q CB -0.327 27.957 28.738 -0.757 0.000 0.941 121 Q HN 0.406 nan 8.270 nan 0.000 0.464 122 S N -0.259 115.232 115.700 -0.348 0.000 2.469 122 S HA -0.114 4.356 4.470 -0.000 0.000 0.238 122 S C 1.412 175.807 174.600 -0.342 0.000 0.998 122 S CA 0.769 58.753 58.200 -0.360 0.000 0.957 122 S CB -0.403 62.545 63.200 -0.420 0.000 0.764 122 S HN 0.358 nan 8.310 nan 0.000 0.514 123 F N 1.765 121.683 119.950 -0.053 0.000 2.664 123 F HA 0.136 4.662 4.527 -0.001 0.000 0.296 123 F C 2.649 178.448 175.800 -0.002 0.000 1.125 123 F CA 0.475 58.415 58.000 -0.100 0.000 1.444 123 F CB -0.648 38.191 39.000 -0.268 0.000 1.114 123 F HN 0.149 nan 8.300 nan 0.000 0.576 124 T N 0.846 115.499 114.554 0.164 0.000 2.720 124 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 124 T C -0.585 174.169 174.700 0.090 0.000 1.037 124 T CA 1.303 63.489 62.100 0.143 0.000 1.144 124 T CB -1.202 67.729 68.868 0.106 0.000 0.864 124 T HN 0.122 nan 8.240 nan 0.000 0.444 125 P HA 0.290 nan 4.420 nan 0.000 0.245 125 P C 0.738 178.066 177.300 0.048 0.000 1.212 125 P CA 0.506 63.628 63.100 0.037 0.000 0.774 125 P CB -0.009 31.695 31.700 0.007 0.000 0.999 126 I N -1.902 118.713 120.570 0.075 0.000 3.345 126 I HA 0.172 4.342 4.170 -0.000 0.000 0.258 126 I C 1.097 177.252 176.117 0.063 0.000 1.134 126 I CA -0.206 61.136 61.300 0.070 0.000 1.457 126 I CB -0.690 37.367 38.000 0.096 0.000 1.425 126 I HN -0.248 nan 8.210 nan 0.000 0.461 127 A N 1.212 124.084 122.820 0.087 0.000 2.425 127 A HA 0.173 4.492 4.320 -0.000 0.000 0.242 127 A C 1.160 178.780 177.584 0.060 0.000 1.077 127 A CA -0.030 52.045 52.037 0.064 0.000 0.781 127 A CB 0.176 19.230 19.000 0.089 0.000 1.020 127 A HN 0.270 nan 8.150 nan 0.000 0.494 128 R N 0.038 120.562 120.500 0.040 0.000 2.148 128 R HA 0.004 4.343 4.340 -0.000 0.000 0.223 128 R C 0.362 176.685 176.300 0.038 0.000 1.088 128 R CA 1.360 57.480 56.100 0.032 0.000 0.985 128 R CB 0.005 30.314 30.300 0.015 0.000 0.880 128 R HN 0.600 nan 8.270 nan 0.000 0.451 129 S N 0.031 115.758 115.700 0.045 0.000 2.619 129 S HA 0.301 4.771 4.470 -0.000 0.000 0.280 129 S C -1.086 173.571 174.600 0.096 0.000 1.150 129 S CA -0.626 57.605 58.200 0.051 0.000 0.978 129 S CB 2.097 65.303 63.200 0.009 0.000 1.041 129 S HN -0.012 nan 8.310 nan 0.000 0.485 130 T N 5.026 119.664 114.554 0.140 0.000 2.815 130 T HA 0.503 4.853 4.350 -0.000 0.000 0.289 130 T C -1.059 173.735 174.700 0.156 0.000 1.000 130 T CA -0.544 61.695 62.100 0.232 0.000 0.958 130 T CB 1.322 70.400 68.868 0.350 0.000 0.944 130 T HN 0.672 nan 8.240 nan 0.000 0.442 131 Q N 1.852 121.684 119.800 0.053 0.000 2.337 131 Q HA 0.568 4.908 4.340 -0.000 0.000 0.270 131 Q C -0.624 175.211 176.000 -0.276 0.000 1.043 131 Q CA -1.096 54.651 55.803 -0.093 0.000 0.794 131 Q CB 2.566 31.250 28.738 -0.089 0.000 1.281 131 Q HN 0.337 nan 8.270 nan 0.000 0.446 132 R N 1.853 122.036 120.500 -0.529 0.000 2.229 132 R HA 0.361 4.701 4.340 -0.000 0.000 0.332 132 R C -1.469 174.598 176.300 -0.388 0.000 0.989 132 R CA -0.341 55.315 56.100 -0.740 0.000 0.842 132 R CB 0.781 30.150 30.300 -1.551 0.000 1.119 132 R HN 0.394 nan 8.270 nan 0.000 0.456 133 V N 5.850 125.603 119.914 -0.268 0.000 2.461 133 V HA 0.140 4.260 4.120 -0.000 0.000 0.275 133 V C 0.798 176.814 176.094 -0.130 0.000 1.047 133 V CA -0.027 62.178 62.300 -0.158 0.000 0.955 133 V CB 1.341 33.094 31.823 -0.117 0.000 0.988 133 V HN 0.910 nan 8.190 nan 0.000 0.471 134 E N 3.794 123.937 120.200 -0.095 0.000 2.364 134 E HA 0.177 4.527 4.350 -0.000 0.000 0.196 134 E C 0.238 176.809 176.600 -0.048 0.000 0.990 134 E CA 0.245 56.607 56.400 -0.063 0.000 0.886 134 E CB 0.547 30.220 29.700 -0.045 0.000 0.866 134 E HN 0.572 nan 8.360 nan 0.000 0.493 135 R N 0.593 121.063 120.500 -0.050 0.000 2.621 135 R HA 0.198 4.537 4.340 -0.000 0.000 0.284 135 R C 0.238 176.510 176.300 -0.046 0.000 0.998 135 R CA -0.442 55.632 56.100 -0.043 0.000 0.895 135 R CB 1.682 31.961 30.300 -0.034 0.000 1.195 135 R HN -0.063 nan 8.270 nan 0.000 0.450 136 L N 2.574 123.767 121.223 -0.049 0.000 2.042 136 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 136 L C 1.493 178.338 176.870 -0.041 0.000 1.076 136 L CA 2.293 57.102 54.840 -0.052 0.000 0.749 136 L CB -0.380 41.642 42.059 -0.061 0.000 0.893 136 L HN 0.803 nan 8.230 nan 0.000 0.432 137 D N -1.385 118.993 120.400 -0.036 0.000 2.378 137 D HA -0.167 4.473 4.640 -0.000 0.000 0.227 137 D C 1.437 177.723 176.300 -0.023 0.000 1.012 137 D CA 0.871 54.853 54.000 -0.029 0.000 0.905 137 D CB -0.406 40.377 40.800 -0.027 0.000 0.895 137 D HN 0.437 nan 8.370 nan 0.000 0.532 138 K N 0.066 120.451 120.400 -0.025 0.000 2.358 138 K HA 0.086 4.405 4.320 -0.000 0.000 0.197 138 K C 1.941 178.534 176.600 -0.013 0.000 1.025 138 K CA 0.358 56.634 56.287 -0.018 0.000 1.104 138 K CB 0.957 33.442 32.500 -0.026 0.000 0.855 138 K HN 0.146 nan 8.250 nan 0.000 0.531 139 V N -1.623 118.281 119.914 -0.017 0.000 2.343 139 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 139 V C 1.943 178.053 176.094 0.026 0.000 1.051 139 V CA 2.136 64.430 62.300 -0.010 0.000 1.036 139 V CB -1.088 30.721 31.823 -0.023 0.000 0.654 139 V HN 0.215 nan 8.190 nan 0.000 0.451 140 G N -0.092 108.728 108.800 0.032 0.000 2.402 140 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 140 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 140 G C 1.526 176.504 174.900 0.131 0.000 1.162 140 G CA 0.880 46.028 45.100 0.081 0.000 0.777 140 G HN 0.694 nan 8.290 nan 0.000 0.539 141 E N 0.612 120.857 120.200 0.076 0.000 2.058 141 E HA -0.105 4.244 4.350 -0.000 0.000 0.194 141 E C 2.700 179.362 176.600 0.103 0.000 0.997 141 E CA 1.279 57.731 56.400 0.086 0.000 0.801 141 E CB -0.315 29.408 29.700 0.039 0.000 0.746 141 E HN 0.319 nan 8.360 nan 0.000 0.450 142 A N 0.905 123.759 122.820 0.057 0.000 1.902 142 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 142 A C 2.202 179.815 177.584 0.049 0.000 1.181 142 A CA 1.498 53.549 52.037 0.024 0.000 0.623 142 A CB -0.616 18.371 19.000 -0.021 0.000 0.818 142 A HN 0.372 nan 8.150 nan 0.000 0.443 143 I N -1.312 119.327 120.570 0.115 0.000 2.252 143 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 143 I C 2.566 178.825 176.117 0.235 0.000 1.102 143 I CA 1.536 62.966 61.300 0.216 0.000 1.385 143 I CB -0.581 37.594 38.000 0.292 0.000 1.064 143 I HN 0.565 nan 8.210 nan 0.000 0.414 144 H N 1.219 120.298 119.070 0.016 0.000 2.319 144 H HA -0.275 4.280 4.556 -0.000 0.000 0.297 144 H C 2.140 177.347 175.328 -0.202 0.000 1.097 144 H CA 2.394 58.206 56.048 -0.393 0.000 1.285 144 H CB 0.135 29.743 29.762 -0.258 0.000 1.368 144 H HN 0.305 nan 8.280 nan 0.000 0.495 145 E N 0.873 120.966 120.200 -0.177 0.000 2.085 145 E HA -0.124 4.225 4.350 -0.000 0.000 0.194 145 E C 2.374 178.888 176.600 -0.143 0.000 0.994 145 E CA 1.652 57.943 56.400 -0.182 0.000 0.801 145 E CB -0.564 29.103 29.700 -0.054 0.000 0.743 145 E HN 0.516 nan 8.360 nan 0.000 0.453 146 A N -0.230 122.538 122.820 -0.086 0.000 1.892 146 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 146 A C 2.172 179.644 177.584 -0.186 0.000 1.188 146 A CA 1.707 53.671 52.037 -0.122 0.000 0.631 146 A CB -1.109 17.811 19.000 -0.135 0.000 0.822 146 A HN 0.396 nan 8.150 nan 0.000 0.447 147 F N -0.314 119.525 119.950 -0.185 0.000 2.171 147 F HA -0.113 4.414 4.527 -0.001 0.000 0.300 147 F C 2.603 178.287 175.800 -0.193 0.000 1.090 147 F CA 1.691 59.587 58.000 -0.173 0.000 1.293 147 F CB -0.249 38.633 39.000 -0.197 0.000 1.013 147 F HN 0.111 nan 8.300 nan 0.000 0.486 148 R N -0.281 120.145 120.500 -0.122 0.000 2.081 148 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 148 R C 2.139 178.389 176.300 -0.083 0.000 1.131 148 R CA 1.560 57.573 56.100 -0.145 0.000 0.960 148 R CB -0.772 29.373 30.300 -0.259 0.000 0.856 148 R HN 0.173 nan 8.270 nan 0.000 0.436 149 V N 0.770 120.631 119.914 -0.088 0.000 2.323 149 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 149 V C 2.422 178.481 176.094 -0.058 0.000 1.041 149 V CA 1.848 64.113 62.300 -0.059 0.000 1.025 149 V CB -0.660 31.133 31.823 -0.050 0.000 0.656 149 V HN 0.386 nan 8.190 nan 0.000 0.451 150 A N -0.221 122.545 122.820 -0.091 0.000 1.940 150 A HA -0.225 4.094 4.320 -0.000 0.000 0.219 150 A C 1.993 179.536 177.584 -0.068 0.000 1.176 150 A CA 1.839 53.817 52.037 -0.098 0.000 0.631 150 A CB -0.376 18.509 19.000 -0.192 0.000 0.814 150 A HN 0.650 nan 8.150 nan 0.000 0.446 151 E N -0.307 119.867 120.200 -0.043 0.000 2.444 151 E HA 0.222 4.572 4.350 -0.000 0.000 0.191 151 E C 1.039 177.618 176.600 -0.036 0.000 1.041 151 E CA -0.102 56.285 56.400 -0.022 0.000 0.883 151 E CB 0.243 29.970 29.700 0.045 0.000 1.024 151 E HN 0.557 nan 8.360 nan 0.000 0.470 152 G N 0.120 108.898 108.800 -0.037 0.000 2.516 152 G HA2 0.074 4.034 3.960 -0.000 0.000 0.276 152 G HA3 0.074 4.034 3.960 -0.000 0.000 0.276 152 G C -0.340 174.500 174.900 -0.099 0.000 1.390 152 G CA -0.460 44.641 45.100 0.002 0.000 1.050 152 G HN 0.244 nan 8.290 nan 0.000 0.519 153 H N 1.022 120.095 119.070 0.005 0.000 2.685 153 H HA 0.267 4.823 4.556 -0.000 0.000 0.307 153 H C -1.820 173.513 175.328 0.008 0.000 1.017 153 H CA -0.944 55.108 56.048 0.008 0.000 1.237 153 H CB 1.607 31.372 29.762 0.005 0.000 1.409 153 H HN 0.338 nan 8.280 nan 0.000 0.488 154 P HA 0.231 nan 4.420 nan 0.000 0.278 154 P C -0.189 177.078 177.300 -0.055 0.000 1.238 154 P CA -0.556 62.541 63.100 -0.005 0.000 0.794 154 P CB 1.234 32.948 31.700 0.023 0.000 0.955 155 A N 1.471 124.228 122.820 -0.105 0.000 2.366 155 A HA 0.656 4.976 4.320 -0.000 0.000 0.249 155 A C 0.626 178.192 177.584 -0.030 0.000 1.084 155 A CA 0.566 52.553 52.037 -0.084 0.000 0.794 155 A CB -0.269 18.671 19.000 -0.101 0.000 1.034 155 A HN 0.883 nan 8.150 nan 0.000 0.491 156 G N -0.392 108.393 108.800 -0.025 0.000 2.342 156 G HA2 0.543 4.503 3.960 -0.000 0.000 0.297 156 G HA3 0.543 4.503 3.960 -0.000 0.000 0.297 156 G C -3.500 171.392 174.900 -0.014 0.000 1.313 156 G CA -0.422 44.675 45.100 -0.005 0.000 0.830 156 G HN 0.618 nan 8.290 nan 0.000 0.506 157 P HA 0.550 nan 4.420 nan 0.000 0.284 157 P C -0.718 176.585 177.300 0.005 0.000 1.253 157 P CA -0.120 62.989 63.100 0.016 0.000 0.800 157 P CB 1.891 33.613 31.700 0.036 0.000 0.961 158 A N 3.245 126.059 122.820 -0.010 0.000 2.356 158 A HA 0.559 4.879 4.320 -0.000 0.000 0.310 158 A C -1.747 175.855 177.584 0.030 0.000 1.075 158 A CA -0.619 51.409 52.037 -0.016 0.000 0.746 158 A CB 0.933 19.875 19.000 -0.097 0.000 1.221 158 A HN 0.548 nan 8.150 nan 0.000 0.443 159 Y N 2.336 122.587 120.300 -0.081 0.000 2.352 159 Y HA 0.606 5.156 4.550 -0.001 0.000 0.339 159 Y C -1.023 174.839 175.900 -0.062 0.000 0.992 159 Y CA -0.803 57.228 58.100 -0.115 0.000 1.100 159 Y CB 1.889 40.174 38.460 -0.292 0.000 1.192 159 Y HN 0.467 nan 8.280 nan 0.000 0.458 160 V N 5.906 125.386 119.914 -0.723 0.000 2.443 160 V HA 0.231 4.351 4.120 -0.000 0.000 0.293 160 V C -1.169 174.494 176.094 -0.718 0.000 1.021 160 V CA -0.872 61.120 62.300 -0.513 0.000 0.848 160 V CB 1.558 33.221 31.823 -0.266 0.000 0.998 160 V HN 0.772 nan 8.190 nan 0.000 0.424 161 D N 4.536 124.642 120.400 -0.490 0.000 2.329 161 D HA 0.612 5.251 4.640 -0.000 0.000 0.232 161 D C -0.690 175.498 176.300 -0.187 0.000 1.088 161 D CA -0.119 53.721 54.000 -0.267 0.000 0.835 161 D CB 0.929 41.704 40.800 -0.042 0.000 1.078 161 D HN 0.482 nan 8.370 nan 0.000 0.495 162 I N 5.785 126.302 120.570 -0.090 0.000 2.439 162 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 162 I C -2.180 173.960 176.117 0.038 0.000 1.023 162 I CA -2.292 58.980 61.300 -0.047 0.000 1.100 162 I CB 1.997 39.976 38.000 -0.035 0.000 1.238 162 I HN 0.214 nan 8.210 nan 0.000 0.445 163 P HA -0.035 nan 4.420 nan 0.000 0.268 163 P C 0.625 178.015 177.300 0.149 0.000 1.204 163 P CA 0.050 63.220 63.100 0.117 0.000 0.768 163 P CB 0.380 32.120 31.700 0.067 0.000 0.842 164 F N 2.924 122.897 119.950 0.038 0.000 2.502 164 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 164 F C 1.615 177.407 175.800 -0.013 0.000 1.111 164 F CA 0.691 58.721 58.000 0.050 0.000 1.445 164 F CB -0.815 38.264 39.000 0.133 0.000 1.081 164 F HN 0.187 nan 8.300 nan 0.000 0.558 165 D N 2.157 122.238 120.400 -0.532 0.000 2.158 165 D HA -0.261 4.379 4.640 -0.000 0.000 0.197 165 D C 1.935 178.036 176.300 -0.332 0.000 0.995 165 D CA 1.599 55.279 54.000 -0.534 0.000 0.846 165 D CB -0.976 39.608 40.800 -0.360 0.000 0.941 165 D HN 0.487 nan 8.370 nan 0.000 0.456 166 L N 0.985 122.093 121.223 -0.191 0.000 2.201 166 L HA -0.094 4.245 4.340 -0.000 0.000 0.212 166 L C 2.895 179.672 176.870 -0.156 0.000 1.105 166 L CA 1.534 56.288 54.840 -0.142 0.000 0.775 166 L CB -0.887 41.122 42.059 -0.084 0.000 0.913 166 L HN 0.235 nan 8.230 nan 0.000 0.440 167 T N -2.811 111.650 114.554 -0.156 0.000 2.904 167 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 167 T C 1.882 176.367 174.700 -0.359 0.000 1.059 167 T CA 0.853 62.871 62.100 -0.138 0.000 1.137 167 T CB -0.036 68.860 68.868 0.046 0.000 0.879 167 T HN 0.280 nan 8.240 nan 0.000 0.467 168 A N 1.452 123.854 122.820 -0.696 0.000 1.975 168 A HA 0.179 4.498 4.320 -0.000 0.000 0.215 168 A C 1.032 178.362 177.584 -0.423 0.000 1.170 168 A CA 0.262 51.726 52.037 -0.954 0.000 0.656 168 A CB -0.434 17.816 19.000 -1.251 0.000 0.821 168 A HN 0.482 nan 8.150 nan 0.000 0.449 169 D N 1.000 121.216 120.400 -0.308 0.000 2.378 169 D HA 0.254 4.894 4.640 -0.000 0.000 0.238 169 D C 0.418 176.636 176.300 -0.137 0.000 1.180 169 D CA 0.467 54.355 54.000 -0.186 0.000 0.895 169 D CB 0.385 41.093 40.800 -0.154 0.000 1.192 169 D HN 0.598 nan 8.370 nan 0.000 0.438 170 Q N 0.428 120.171 119.800 -0.096 0.000 2.413 170 Q HA 0.736 5.076 4.340 -0.000 0.000 0.276 170 Q C -0.992 174.974 176.000 -0.057 0.000 1.099 170 Q CA -0.912 54.849 55.803 -0.070 0.000 0.814 170 Q CB 2.705 31.411 28.738 -0.052 0.000 1.379 170 Q HN 0.551 nan 8.270 nan 0.000 0.436 171 I N 0.258 120.799 120.570 -0.048 0.000 2.908 171 I HA 0.235 4.405 4.170 -0.000 0.000 0.300 171 I C -1.663 174.433 176.117 -0.036 0.000 1.385 171 I CA -0.678 60.597 61.300 -0.041 0.000 1.004 171 I CB 2.750 40.725 38.000 -0.043 0.000 1.309 171 I HN 0.849 nan 8.210 nan 0.000 0.449 172 D N 3.387 123.768 120.400 -0.031 0.000 2.425 172 D HA 0.025 4.665 4.640 -0.000 0.000 0.247 172 D C 0.462 176.744 176.300 -0.031 0.000 1.147 172 D CA 0.241 54.224 54.000 -0.029 0.000 0.879 172 D CB 0.867 41.652 40.800 -0.025 0.000 1.179 172 D HN 0.526 nan 8.370 nan 0.000 0.456 173 D N 2.947 123.328 120.400 -0.032 0.000 2.340 173 D HA -0.075 4.565 4.640 -0.000 0.000 0.220 173 D C 0.225 176.504 176.300 -0.034 0.000 1.039 173 D CA -0.200 53.779 54.000 -0.035 0.000 0.866 173 D CB -0.232 40.545 40.800 -0.040 0.000 0.913 173 D HN 0.240 nan 8.370 nan 0.000 0.523 174 K N 0.637 121.018 120.400 -0.031 0.000 2.430 174 K HA 0.172 4.491 4.320 -0.000 0.000 0.280 174 K C 0.725 177.307 176.600 -0.030 0.000 1.063 174 K CA 0.733 57.002 56.287 -0.029 0.000 1.071 174 K CB -0.166 32.319 32.500 -0.025 0.000 0.899 174 K HN 0.146 nan 8.250 nan 0.000 0.473 175 A N 3.289 126.089 122.820 -0.033 0.000 3.153 175 A HA -0.221 4.099 4.320 -0.000 0.000 0.265 175 A C 0.954 178.517 177.584 -0.036 0.000 1.212 175 A CA 1.240 53.256 52.037 -0.035 0.000 1.018 175 A CB -2.136 16.845 19.000 -0.032 0.000 1.130 175 A HN 0.854 nan 8.150 nan 0.000 0.873 176 L N -0.716 120.486 121.223 -0.035 0.000 2.109 176 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 176 L C 0.807 177.663 176.870 -0.024 0.000 1.086 176 L CA 1.473 56.295 54.840 -0.030 0.000 0.760 176 L CB 0.134 42.175 42.059 -0.031 0.000 0.910 176 L HN 0.321 nan 8.230 nan 0.000 0.437 177 V N 2.185 122.080 119.914 -0.032 0.000 2.389 177 V HA 0.230 4.349 4.120 -0.000 0.000 0.264 177 V C -2.123 173.958 176.094 -0.022 0.000 1.049 177 V CA -1.409 60.877 62.300 -0.024 0.000 0.932 177 V CB 0.427 32.206 31.823 -0.073 0.000 1.011 177 V HN 0.175 nan 8.190 nan 0.000 0.475 178 P HA 0.219 nan 4.420 nan 0.000 0.266 178 P C -0.315 176.991 177.300 0.011 0.000 1.215 178 P CA 0.072 63.138 63.100 -0.056 0.000 0.763 178 P CB 0.399 31.937 31.700 -0.271 0.000 0.806 179 R N 2.163 122.647 120.500 -0.027 0.000 2.828 179 R HA 0.615 4.955 4.340 -0.000 0.000 0.264 179 R C 1.035 177.334 176.300 -0.002 0.000 1.022 179 R CA -0.506 55.583 56.100 -0.017 0.000 1.021 179 R CB 0.643 30.915 30.300 -0.046 0.000 1.163 179 R HN 0.694 nan 8.270 nan 0.000 0.494 180 G N -0.063 108.743 108.800 0.011 0.000 2.160 180 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.251 180 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.251 180 G C 0.098 175.021 174.900 0.039 0.000 1.008 180 G CA 0.305 45.414 45.100 0.015 0.000 0.724 180 G HN 0.825 nan 8.290 nan 0.000 0.514 181 A N -0.010 122.860 122.820 0.084 0.000 2.404 181 A HA 0.748 5.067 4.320 -0.000 0.000 0.273 181 A C 0.573 178.214 177.584 0.095 0.000 1.144 181 A CA 1.078 53.185 52.037 0.117 0.000 0.806 181 A CB 0.808 19.939 19.000 0.218 0.000 1.080 181 A HN 1.276 nan 8.150 nan 0.000 0.509 182 T N 2.161 116.758 114.554 0.072 0.000 2.908 182 T HA 0.574 4.924 4.350 -0.000 0.000 0.290 182 T C 0.069 174.800 174.700 0.051 0.000 1.034 182 T CA -0.699 61.434 62.100 0.054 0.000 1.010 182 T CB 0.663 69.554 68.868 0.039 0.000 1.068 182 T HN 0.751 nan 8.240 nan 0.000 0.481 183 R N 1.392 121.919 120.500 0.045 0.000 2.528 183 R HA 0.716 5.056 4.340 -0.000 0.000 0.271 183 R C 0.171 176.493 176.300 0.036 0.000 1.056 183 R CA -0.746 55.380 56.100 0.042 0.000 1.117 183 R CB 0.740 31.069 30.300 0.048 0.000 1.085 183 R HN 0.728 nan 8.270 nan 0.000 0.530 184 A N 1.947 124.787 122.820 0.033 0.000 2.407 184 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 184 A C -0.224 177.379 177.584 0.031 0.000 1.082 184 A CA -0.295 51.759 52.037 0.028 0.000 0.785 184 A CB 0.229 19.242 19.000 0.021 0.000 1.020 184 A HN 0.612 nan 8.150 nan 0.000 0.489 185 K N 0.870 121.287 120.400 0.029 0.000 2.414 185 K HA 0.155 4.475 4.320 -0.000 0.000 0.272 185 K C 0.390 177.000 176.600 0.018 0.000 0.993 185 K CA 0.443 56.749 56.287 0.032 0.000 0.964 185 K CB 0.408 32.931 32.500 0.039 0.000 0.925 185 K HN 0.640 nan 8.250 nan 0.000 0.487 186 S N 0.555 116.263 115.700 0.012 0.000 2.583 186 S HA 0.014 4.484 4.470 -0.000 0.000 0.239 186 S C 0.533 175.110 174.600 -0.038 0.000 0.966 186 S CA -0.586 57.588 58.200 -0.043 0.000 0.973 186 S CB -0.104 63.072 63.200 -0.040 0.000 0.794 186 S HN 0.503 nan 8.310 nan 0.000 0.463 187 V N 0.123 120.043 119.914 0.010 0.000 2.052 187 V HA 0.376 4.496 4.120 -0.000 0.000 0.281 187 V C -0.244 175.883 176.094 0.055 0.000 1.668 187 V CA -0.754 61.554 62.300 0.013 0.000 1.621 187 V CB -1.406 30.451 31.823 0.058 0.000 1.488 187 V HN 0.142 nan 8.190 nan 0.000 0.513 188 L N 3.376 124.605 121.223 0.009 0.000 2.534 188 L HA 0.278 4.618 4.340 -0.000 0.000 0.271 188 L C 0.867 177.755 176.870 0.029 0.000 1.178 188 L CA 0.637 55.507 54.840 0.050 0.000 0.907 188 L CB -0.891 41.158 42.059 -0.016 0.000 1.164 188 L HN 0.525 nan 8.230 nan 0.000 0.482 189 H N 2.293 121.379 119.070 0.027 0.000 2.502 189 H HA 0.533 5.088 4.556 -0.000 0.000 0.327 189 H C 0.001 175.373 175.328 0.073 0.000 1.099 189 H CA -0.711 55.369 56.048 0.054 0.000 1.323 189 H CB 1.458 31.238 29.762 0.030 0.000 1.450 189 H HN 0.774 nan 8.280 nan 0.000 0.502 190 A N 5.030 127.976 122.820 0.211 0.000 2.332 190 A HA 0.292 4.612 4.320 -0.000 0.000 0.258 190 A C -2.042 175.634 177.584 0.154 0.000 1.087 190 A CA -1.311 50.848 52.037 0.204 0.000 0.802 190 A CB -0.169 19.065 19.000 0.390 0.000 1.042 190 A HN 0.481 nan 8.150 nan 0.000 0.489 191 P HA 0.132 nan 4.420 nan 0.000 0.274 191 P C 0.115 177.459 177.300 0.073 0.000 1.231 191 P CA -0.262 62.884 63.100 0.076 0.000 0.790 191 P CB 0.407 32.139 31.700 0.053 0.000 0.951 192 N N 0.711 119.436 118.700 0.043 0.000 2.137 192 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 192 N C 1.275 176.799 175.510 0.024 0.000 1.017 192 N CA 1.274 54.337 53.050 0.021 0.000 0.859 192 N CB -0.152 38.339 38.487 0.007 0.000 1.002 192 N HN 0.545 nan 8.380 nan 0.000 0.428 193 E N 0.937 121.155 120.200 0.030 0.000 2.070 193 E HA -0.188 4.161 4.350 -0.000 0.000 0.197 193 E C 1.297 177.927 176.600 0.051 0.000 1.004 193 E CA 1.210 57.628 56.400 0.030 0.000 0.805 193 E CB -0.119 29.597 29.700 0.026 0.000 0.744 193 E HN 0.345 nan 8.360 nan 0.000 0.451 194 D N -0.187 120.263 120.400 0.084 0.000 2.117 194 D HA -0.086 4.553 4.640 -0.000 0.000 0.198 194 D C 2.034 178.454 176.300 0.201 0.000 0.982 194 D CA 0.776 54.862 54.000 0.142 0.000 0.828 194 D CB -0.269 40.636 40.800 0.175 0.000 0.967 194 D HN 0.033 nan 8.370 nan 0.000 0.464 195 V N 1.167 121.160 119.914 0.132 0.000 2.295 195 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 195 V C 2.442 178.513 176.094 -0.038 0.000 1.049 195 V CA 1.613 63.887 62.300 -0.043 0.000 1.024 195 V CB -0.406 31.317 31.823 -0.168 0.000 0.648 195 V HN 0.148 nan 8.190 nan 0.000 0.447 196 R N -0.242 120.250 120.500 -0.015 0.000 2.092 196 R HA -0.182 4.158 4.340 -0.000 0.000 0.231 196 R C 2.401 178.699 176.300 -0.003 0.000 1.119 196 R CA 1.631 57.718 56.100 -0.022 0.000 0.970 196 R CB -0.304 29.986 30.300 -0.015 0.000 0.864 196 R HN 0.657 nan 8.270 nan 0.000 0.440 197 E N 0.772 120.988 120.200 0.026 0.000 2.072 197 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 197 E C 1.935 178.556 176.600 0.035 0.000 0.985 197 E CA 1.066 57.482 56.400 0.026 0.000 0.801 197 E CB 0.003 29.728 29.700 0.041 0.000 0.750 197 E HN 0.333 nan 8.360 nan 0.000 0.452 198 A N 1.237 124.122 122.820 0.109 0.000 1.902 198 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 198 A C 2.386 180.011 177.584 0.068 0.000 1.181 198 A CA 1.775 53.916 52.037 0.173 0.000 0.623 198 A CB -0.735 18.486 19.000 0.370 0.000 0.818 198 A HN 0.413 nan 8.150 nan 0.000 0.443 199 A N -0.118 122.707 122.820 0.007 0.000 1.902 199 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 199 A C 2.508 180.063 177.584 -0.049 0.000 1.181 199 A CA 2.067 54.081 52.037 -0.039 0.000 0.623 199 A CB -1.023 17.924 19.000 -0.088 0.000 0.818 199 A HN 1.058 nan 8.150 nan 0.000 0.443 200 A N -1.094 121.694 122.820 -0.053 0.000 1.902 200 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 200 A C 2.135 179.639 177.584 -0.134 0.000 1.181 200 A CA 1.671 53.671 52.037 -0.062 0.000 0.623 200 A CB -0.467 18.505 19.000 -0.047 0.000 0.818 200 A HN 0.512 nan 8.150 nan 0.000 0.443 201 Q N -0.957 118.703 119.800 -0.234 0.000 2.084 201 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 201 Q C 2.116 177.708 176.000 -0.681 0.000 0.978 201 Q CA 1.282 56.755 55.803 -0.550 0.000 0.844 201 Q CB -0.633 27.607 28.738 -0.830 0.000 0.898 201 Q HN 0.557 nan 8.270 nan 0.000 0.426 202 L N 0.126 121.105 121.223 -0.407 0.000 2.046 202 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 202 L C 2.274 179.128 176.870 -0.027 0.000 1.077 202 L CA 1.246 56.016 54.840 -0.116 0.000 0.747 202 L CB -0.505 41.603 42.059 0.081 0.000 0.896 202 L HN -0.039 nan 8.230 nan 0.000 0.432 203 V N -0.669 119.237 119.914 -0.013 0.000 2.453 203 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 203 V C 2.604 178.706 176.094 0.012 0.000 1.048 203 V CA 1.412 63.746 62.300 0.057 0.000 1.049 203 V CB -1.012 30.878 31.823 0.113 0.000 0.672 203 V HN 0.537 nan 8.190 nan 0.000 0.457 204 A N 0.029 122.821 122.820 -0.047 0.000 2.014 204 A HA 0.303 4.623 4.320 -0.000 0.000 0.218 204 A C 1.575 179.141 177.584 -0.030 0.000 1.163 204 A CA 0.834 52.845 52.037 -0.043 0.000 0.652 204 A CB -0.486 18.471 19.000 -0.072 0.000 0.808 204 A HN 0.562 nan 8.150 nan 0.000 0.449 205 A N -0.001 122.791 122.820 -0.047 0.000 2.531 205 A HA 0.297 4.617 4.320 -0.000 0.000 0.236 205 A C 1.168 178.790 177.584 0.063 0.000 1.062 205 A CA 0.043 52.098 52.037 0.030 0.000 0.760 205 A CB 0.295 19.359 19.000 0.107 0.000 0.995 205 A HN 0.327 nan 8.150 nan 0.000 0.501 206 K N 0.873 121.318 120.400 0.074 0.000 2.186 206 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 206 K C -0.277 176.375 176.600 0.087 0.000 1.052 206 K CA 1.199 57.528 56.287 0.070 0.000 0.965 206 K CB -0.002 32.534 32.500 0.061 0.000 0.746 206 K HN 0.797 nan 8.250 nan 0.000 0.457 207 N N 0.857 119.621 118.700 0.108 0.000 2.687 207 N HA 0.136 4.876 4.740 -0.000 0.000 0.275 207 N C -2.819 172.773 175.510 0.137 0.000 1.789 207 N CA -0.948 52.171 53.050 0.115 0.000 0.806 207 N CB 1.491 40.043 38.487 0.108 0.000 1.256 207 N HN 0.024 nan 8.380 nan 0.000 0.500 208 P HA 0.151 nan 4.420 nan 0.000 0.274 208 P C -0.584 176.780 177.300 0.107 0.000 1.246 208 P CA -0.242 62.979 63.100 0.201 0.000 0.795 208 P CB 1.660 33.508 31.700 0.247 0.000 1.006 209 V N 2.250 122.194 119.914 0.050 0.000 2.888 209 V HA 0.424 4.543 4.120 -0.000 0.000 0.309 209 V C -0.677 175.368 176.094 -0.080 0.000 1.114 209 V CA -1.028 61.251 62.300 -0.035 0.000 0.940 209 V CB 1.934 33.717 31.823 -0.068 0.000 1.021 209 V HN 0.305 nan 8.190 nan 0.000 0.426 210 I N 6.416 126.921 120.570 -0.109 0.000 2.336 210 I HA 0.437 4.606 4.170 -0.000 0.000 0.292 210 I C -0.380 175.632 176.117 -0.174 0.000 0.991 210 I CA -0.314 60.909 61.300 -0.128 0.000 1.227 210 I CB 1.569 39.488 38.000 -0.135 0.000 1.366 210 I HN 0.429 nan 8.210 nan 0.000 0.466 211 L N 7.009 128.132 121.223 -0.168 0.000 2.276 211 L HA 0.694 5.033 4.340 -0.000 0.000 0.286 211 L C -0.191 176.593 176.870 -0.143 0.000 1.024 211 L CA -0.346 54.383 54.840 -0.184 0.000 0.826 211 L CB 0.874 42.798 42.059 -0.225 0.000 1.211 211 L HN 0.729 nan 8.230 nan 0.000 0.422 212 A N 4.125 126.861 122.820 -0.139 0.000 2.258 212 A HA 0.748 5.067 4.320 -0.000 0.000 0.316 212 A C 0.127 177.660 177.584 -0.085 0.000 1.279 212 A CA -0.096 51.884 52.037 -0.095 0.000 0.876 212 A CB 1.102 20.046 19.000 -0.092 0.000 1.170 212 A HN 0.789 nan 8.150 nan 0.000 0.520 213 G N 0.725 109.494 108.800 -0.051 0.000 2.642 213 G HA2 0.460 4.419 3.960 -0.000 0.000 0.291 213 G HA3 0.460 4.419 3.960 -0.000 0.000 0.291 213 G C 1.004 175.899 174.900 -0.009 0.000 1.345 213 G CA 0.013 45.091 45.100 -0.036 0.000 1.043 213 G HN 1.069 nan 8.290 nan 0.000 0.528 214 G N -0.563 108.244 108.800 0.012 0.000 2.462 214 G HA2 0.028 3.988 3.960 -0.000 0.000 0.220 214 G HA3 0.028 3.988 3.960 -0.000 0.000 0.220 214 G C 1.670 176.584 174.900 0.022 0.000 1.121 214 G CA 1.495 46.613 45.100 0.029 0.000 0.758 214 G HN 0.950 nan 8.290 nan 0.000 0.559 215 G N 0.370 109.191 108.800 0.034 0.000 2.448 215 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 215 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 215 G C 1.685 176.606 174.900 0.034 0.000 1.127 215 G CA 1.066 46.193 45.100 0.045 0.000 0.766 215 G HN 0.339 nan 8.290 nan 0.000 0.552 216 V N 1.264 121.191 119.914 0.020 0.000 2.427 216 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 216 V C 3.254 179.355 176.094 0.012 0.000 1.051 216 V CA 1.851 64.161 62.300 0.017 0.000 1.048 216 V CB -0.717 31.112 31.823 0.009 0.000 0.666 216 V HN 0.472 nan 8.190 nan 0.000 0.456 217 A N 0.246 123.066 122.820 0.001 0.000 1.858 217 A HA -0.258 4.061 4.320 -0.000 0.000 0.216 217 A C 2.407 179.979 177.584 -0.021 0.000 1.190 217 A CA 2.095 54.123 52.037 -0.016 0.000 0.617 217 A CB -0.608 18.371 19.000 -0.035 0.000 0.827 217 A HN 0.457 nan 8.150 nan 0.000 0.443 218 R N -0.549 119.940 120.500 -0.017 0.000 2.105 218 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 218 R C 2.413 178.729 176.300 0.028 0.000 1.135 218 R CA 1.716 57.813 56.100 -0.006 0.000 0.967 218 R CB -0.337 29.966 30.300 0.005 0.000 0.861 218 R HN 0.491 nan 8.270 nan 0.000 0.442 219 S N -0.906 114.816 115.700 0.037 0.000 2.423 219 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 219 S C 1.000 175.615 174.600 0.025 0.000 1.014 219 S CA 1.147 59.369 58.200 0.038 0.000 0.965 219 S CB -0.195 63.026 63.200 0.034 0.000 0.785 219 S HN 0.725 nan 8.310 nan 0.000 0.495 220 G N -0.010 108.800 108.800 0.017 0.000 2.198 220 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.257 220 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.257 220 G C 0.479 175.390 174.900 0.018 0.000 1.042 220 G CA 0.245 45.353 45.100 0.014 0.000 0.791 220 G HN 0.830 nan 8.290 nan 0.000 0.502 221 G N -0.390 108.423 108.800 0.021 0.000 3.314 221 G HA2 0.362 4.322 3.960 -0.000 0.000 0.238 221 G HA3 0.362 4.322 3.960 -0.000 0.000 0.238 221 G C 1.463 176.383 174.900 0.034 0.000 1.184 221 G CA 1.348 46.463 45.100 0.025 0.000 0.806 221 G HN 0.572 nan 8.290 nan 0.000 0.536 222 S N 0.391 116.111 115.700 0.034 0.000 2.359 222 S HA -0.172 4.297 4.470 -0.000 0.000 0.224 222 S C 2.141 176.773 174.600 0.052 0.000 1.035 222 S CA 1.474 59.703 58.200 0.047 0.000 1.018 222 S CB -0.140 63.079 63.200 0.032 0.000 0.876 222 S HN 0.722 nan 8.310 nan 0.000 0.448 223 E N 1.406 121.628 120.200 0.037 0.000 2.047 223 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 223 E C 2.170 178.795 176.600 0.042 0.000 0.987 223 E CA 1.090 57.512 56.400 0.037 0.000 0.799 223 E CB -0.309 29.407 29.700 0.028 0.000 0.752 223 E HN 0.446 nan 8.360 nan 0.000 0.449 224 A N 1.422 124.262 122.820 0.034 0.000 1.902 224 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 224 A C 2.194 179.799 177.584 0.036 0.000 1.181 224 A CA 1.381 53.434 52.037 0.027 0.000 0.623 224 A CB -0.681 18.328 19.000 0.015 0.000 0.818 224 A HN 0.399 nan 8.150 nan 0.000 0.443 225 L N -0.718 120.535 121.223 0.050 0.000 2.046 225 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 225 L C 2.227 179.154 176.870 0.096 0.000 1.077 225 L CA 2.050 56.920 54.840 0.050 0.000 0.747 225 L CB -0.645 41.450 42.059 0.060 0.000 0.896 225 L HN 0.353 nan 8.230 nan 0.000 0.432 226 L N -0.098 121.222 121.223 0.161 0.000 2.012 226 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 226 L C 2.572 179.512 176.870 0.117 0.000 1.073 226 L CA 2.295 57.250 54.840 0.192 0.000 0.748 226 L CB -0.883 41.230 42.059 0.091 0.000 0.891 226 L HN 0.351 nan 8.230 nan 0.000 0.431 227 K N -0.530 119.918 120.400 0.080 0.000 2.026 227 K HA -0.205 4.114 4.320 -0.000 0.000 0.208 227 K C 2.052 178.686 176.600 0.056 0.000 1.048 227 K CA 2.028 58.356 56.287 0.069 0.000 0.929 227 K CB -0.757 31.772 32.500 0.048 0.000 0.713 227 K HN 0.340 nan 8.250 nan 0.000 0.439 228 L N 0.350 121.592 121.223 0.031 0.000 2.017 228 L HA 0.007 4.346 4.340 -0.000 0.000 0.208 228 L C 2.128 179.008 176.870 0.017 0.000 1.073 228 L CA 2.200 57.049 54.840 0.014 0.000 0.745 228 L CB -0.991 41.065 42.059 -0.004 0.000 0.894 228 L HN 0.234 nan 8.230 nan 0.000 0.432 229 A N -0.766 122.042 122.820 -0.021 0.000 1.902 229 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 229 A C 2.179 179.755 177.584 -0.014 0.000 1.181 229 A CA 1.837 53.827 52.037 -0.078 0.000 0.623 229 A CB -0.648 18.184 19.000 -0.279 0.000 0.818 229 A HN 0.628 nan 8.150 nan 0.000 0.443 230 E N -1.066 119.148 120.200 0.024 0.000 2.150 230 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 230 E C 2.023 178.743 176.600 0.199 0.000 0.985 230 E CA 1.177 57.635 56.400 0.096 0.000 0.814 230 E CB -0.228 29.576 29.700 0.174 0.000 0.752 230 E HN 0.757 nan 8.360 nan 0.000 0.466 231 M N 0.995 120.693 119.600 0.165 0.000 2.099 231 M HA -0.146 4.333 4.480 -0.000 0.000 0.262 231 M C 2.261 178.741 176.300 0.300 0.000 1.067 231 M CA 1.505 56.936 55.300 0.218 0.000 1.124 231 M CB 0.145 32.833 32.600 0.147 0.000 1.353 231 M HN 0.098 nan 8.290 nan 0.000 0.410 232 V N -2.311 117.744 119.914 0.235 0.000 3.052 232 V HA 0.335 4.455 4.120 -0.000 0.000 0.254 232 V C 1.193 177.404 176.094 0.195 0.000 1.100 232 V CA 0.565 63.022 62.300 0.262 0.000 1.112 232 V CB -1.291 30.651 31.823 0.197 0.000 0.738 232 V HN 0.699 nan 8.190 nan 0.000 0.469 233 G N 0.445 109.350 108.800 0.176 0.000 2.470 233 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.286 233 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.286 233 G C -0.428 174.572 174.900 0.168 0.000 1.115 233 G CA 0.044 45.266 45.100 0.203 0.000 1.122 233 G HN 0.975 nan 8.290 nan 0.000 0.522 234 V N 1.907 121.878 119.914 0.096 0.000 2.531 234 V HA 0.590 4.710 4.120 -0.000 0.000 0.301 234 V C -1.710 174.374 176.094 -0.015 0.000 1.034 234 V CA -1.777 60.560 62.300 0.062 0.000 0.865 234 V CB 2.349 34.204 31.823 0.053 0.000 0.995 234 V HN 0.324 nan 8.190 nan 0.000 0.424 235 P HA 0.148 nan 4.420 nan 0.000 0.269 235 P C -0.726 176.469 177.300 -0.176 0.000 1.209 235 P CA 0.091 63.168 63.100 -0.038 0.000 0.776 235 P CB 0.848 32.568 31.700 0.034 0.000 0.876 236 V N 3.611 123.340 119.914 -0.308 0.000 2.417 236 V HA 0.279 4.398 4.120 -0.000 0.000 0.291 236 V C 0.406 176.335 176.094 -0.274 0.000 1.024 236 V CA -0.624 61.414 62.300 -0.437 0.000 0.861 236 V CB 1.907 33.125 31.823 -1.008 0.000 0.985 236 V HN 0.258 nan 8.190 nan 0.000 0.436 237 V N 4.303 124.070 119.914 -0.244 0.000 2.581 237 V HA 0.708 4.827 4.120 -0.000 0.000 0.303 237 V C 0.366 176.316 176.094 -0.240 0.000 1.041 237 V CA -0.303 61.856 62.300 -0.235 0.000 0.907 237 V CB 2.365 34.060 31.823 -0.214 0.000 0.994 237 V HN 1.047 nan 8.190 nan 0.000 0.442 238 T N -0.254 114.141 114.554 -0.265 0.000 2.940 238 T HA 0.664 5.013 4.350 -0.000 0.000 0.288 238 T C 0.061 174.621 174.700 -0.234 0.000 1.045 238 T CA -0.329 61.633 62.100 -0.231 0.000 1.018 238 T CB 1.771 70.504 68.868 -0.224 0.000 1.151 238 T HN 0.806 nan 8.240 nan 0.000 0.529 239 T N -0.987 113.456 114.554 -0.185 0.000 2.788 239 T HA 0.337 4.687 4.350 -0.000 0.000 0.280 239 T C 1.374 175.949 174.700 -0.210 0.000 0.984 239 T CA -0.385 61.614 62.100 -0.168 0.000 0.972 239 T CB 0.493 69.299 68.868 -0.103 0.000 1.039 239 T HN 0.509 nan 8.240 nan 0.000 0.530 240 S N 0.386 115.949 115.700 -0.228 0.000 2.423 240 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 240 S C 2.244 176.699 174.600 -0.241 0.000 1.014 240 S CA 1.440 59.414 58.200 -0.377 0.000 0.965 240 S CB -0.773 62.093 63.200 -0.556 0.000 0.785 240 S HN 0.992 nan 8.310 nan 0.000 0.495 241 T N -0.914 113.582 114.554 -0.096 0.000 3.043 241 T HA 0.137 4.487 4.350 -0.000 0.000 0.263 241 T C 1.810 176.523 174.700 0.022 0.000 1.094 241 T CA 0.876 62.998 62.100 0.037 0.000 1.127 241 T CB -0.257 68.684 68.868 0.121 0.000 0.905 241 T HN 0.347 nan 8.240 nan 0.000 0.490 242 G N 1.296 110.068 108.800 -0.046 0.000 2.603 242 G HA2 0.428 4.388 3.960 -0.000 0.000 0.214 242 G HA3 0.428 4.388 3.960 -0.000 0.000 0.214 242 G C 0.762 175.618 174.900 -0.074 0.000 1.140 242 G CA 0.033 45.102 45.100 -0.053 0.000 0.800 242 G HN 0.823 nan 8.290 nan 0.000 0.533 243 A N -0.179 122.564 122.820 -0.128 0.000 2.584 243 A HA 0.443 4.763 4.320 -0.000 0.000 0.239 243 A C 1.759 179.307 177.584 -0.060 0.000 1.043 243 A CA 1.218 53.166 52.037 -0.147 0.000 0.756 243 A CB -0.401 18.465 19.000 -0.223 0.000 0.963 243 A HN 1.714 nan 8.150 nan 0.000 0.511 244 G N 0.334 109.115 108.800 -0.033 0.000 2.217 244 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 244 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 244 G C 1.092 176.003 174.900 0.019 0.000 0.990 244 G CA 0.753 45.857 45.100 0.007 0.000 0.627 244 G HN 2.185 nan 8.290 nan 0.000 0.522 245 V N -2.549 117.380 119.914 0.025 0.000 2.759 245 V HA 0.506 4.626 4.120 -0.000 0.000 0.256 245 V C 1.108 177.269 176.094 0.111 0.000 1.080 245 V CA 1.553 63.881 62.300 0.047 0.000 1.101 245 V CB -0.341 31.502 31.823 0.033 0.000 0.698 245 V HN 0.733 nan 8.190 nan 0.000 0.477 246 F N 1.979 121.889 119.950 -0.067 0.000 2.507 246 F HA 0.726 5.253 4.527 -0.000 0.000 0.325 246 F C -2.644 173.133 175.800 -0.038 0.000 1.116 246 F CA -3.095 54.859 58.000 -0.077 0.000 0.930 246 F CB 1.944 40.872 39.000 -0.120 0.000 1.146 246 F HN -0.084 nan 8.300 nan 0.000 0.447 247 P HA 0.031 nan 4.420 nan 0.000 0.261 247 P C -0.298 176.918 177.300 -0.139 0.000 1.203 247 P CA 0.438 63.383 63.100 -0.257 0.000 0.767 247 P CB 0.494 32.040 31.700 -0.256 0.000 0.785 248 E N 1.123 121.347 120.200 0.040 0.000 2.511 248 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 248 E C 0.984 177.733 176.600 0.249 0.000 1.066 248 E CA 0.790 57.294 56.400 0.174 0.000 0.871 248 E CB -0.154 29.683 29.700 0.228 0.000 0.863 248 E HN 0.572 nan 8.360 nan 0.000 0.520 249 T N -2.072 112.578 114.554 0.160 0.000 3.107 249 T HA -0.035 4.315 4.350 -0.000 0.000 0.249 249 T C 0.775 175.569 174.700 0.155 0.000 1.096 249 T CA -0.222 61.971 62.100 0.156 0.000 1.012 249 T CB 0.006 68.934 68.868 0.101 0.000 0.977 249 T HN 0.092 nan 8.240 nan 0.000 0.527 250 H N 1.112 120.199 119.070 0.029 0.000 2.790 250 H HA 0.475 5.031 4.556 -0.000 0.000 0.358 250 H C 1.558 176.994 175.328 0.179 0.000 1.103 250 H CA 0.407 56.476 56.048 0.035 0.000 1.426 250 H CB 1.351 30.987 29.762 -0.209 0.000 1.424 250 H HN 0.191 nan 8.280 nan 0.000 0.599 251 A N 5.132 128.088 122.820 0.226 0.000 1.978 251 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 251 A C 2.524 180.381 177.584 0.455 0.000 1.170 251 A CA 1.164 53.420 52.037 0.365 0.000 0.636 251 A CB -0.400 18.906 19.000 0.509 0.000 0.810 251 A HN 0.740 nan 8.150 nan 0.000 0.448 252 L N -0.704 120.934 121.223 0.693 0.000 2.554 252 L HA 0.134 4.473 4.340 -0.000 0.000 0.226 252 L C 1.270 178.342 176.870 0.337 0.000 1.137 252 L CA -0.004 55.093 54.840 0.429 0.000 0.863 252 L CB -0.307 41.903 42.059 0.252 0.000 0.985 252 L HN 0.366 nan 8.230 nan 0.000 0.451 253 A N 0.264 123.371 122.820 0.478 0.000 2.396 253 A HA 0.278 4.598 4.320 -0.000 0.000 0.279 253 A C 1.043 178.767 177.584 0.232 0.000 1.165 253 A CA -0.170 52.094 52.037 0.379 0.000 0.824 253 A CB 0.333 19.584 19.000 0.418 0.000 1.100 253 A HN 0.142 nan 8.150 nan 0.000 0.516 254 M N 2.117 121.769 119.600 0.086 0.000 2.509 254 M HA 0.187 4.667 4.480 -0.000 0.000 0.250 254 M C 1.190 177.446 176.300 -0.074 0.000 1.132 254 M CA 1.116 56.456 55.300 0.067 0.000 1.080 254 M CB -1.331 31.267 32.600 -0.004 0.000 1.408 254 M HN 1.241 nan 8.290 nan 0.000 0.484 255 G N 0.515 109.079 108.800 -0.394 0.000 2.615 255 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 255 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 255 G C -0.657 173.753 174.900 -0.816 0.000 1.339 255 G CA -0.539 43.837 45.100 -1.207 0.000 0.884 255 G HN 0.338 nan 8.290 nan 0.000 0.559 256 S N 0.442 115.549 115.700 -0.988 0.000 2.499 256 S HA 0.708 5.178 4.470 -0.000 0.000 0.279 256 S C 0.839 175.211 174.600 -0.381 0.000 1.219 256 S CA 0.349 58.217 58.200 -0.554 0.000 1.062 256 S CB 1.334 64.233 63.200 -0.502 0.000 0.978 256 S HN 1.746 nan 8.310 nan 0.000 0.489 257 A N 2.485 125.135 122.820 -0.284 0.000 2.346 257 A HA 0.824 5.144 4.320 -0.000 0.000 0.252 257 A C 0.895 178.388 177.584 -0.152 0.000 1.089 257 A CA 0.352 52.260 52.037 -0.215 0.000 0.797 257 A CB -0.391 18.483 19.000 -0.210 0.000 1.047 257 A HN 1.569 nan 8.150 nan 0.000 0.494 258 G N -1.326 107.410 108.800 -0.106 0.000 2.371 258 G HA2 0.197 4.157 3.960 -0.000 0.000 0.663 258 G HA3 0.197 4.157 3.960 -0.000 0.000 0.663 258 G C 0.110 175.025 174.900 0.025 0.000 1.311 258 G CA 0.102 45.191 45.100 -0.018 0.000 0.985 258 G HN 1.920 nan 8.290 nan 0.000 0.566 259 F N -1.341 118.551 119.950 -0.097 0.000 2.502 259 F HA 0.321 4.847 4.527 -0.000 0.000 0.298 259 F C 1.778 177.537 175.800 -0.069 0.000 1.111 259 F CA 1.281 59.212 58.000 -0.116 0.000 1.445 259 F CB -0.037 38.851 39.000 -0.188 0.000 1.081 259 F HN 0.369 nan 8.300 nan 0.000 0.558 260 C N 1.708 120.733 119.300 -0.459 0.000 2.881 260 C HA 0.571 5.031 4.460 -0.000 0.000 0.290 260 C C 1.663 176.711 174.990 0.098 0.000 1.362 260 C CA -0.294 58.554 59.018 -0.282 0.000 1.757 260 C CB -1.253 26.152 27.740 -0.558 0.000 2.265 260 C HN 0.655 nan 8.230 nan 0.000 0.600 261 G N -0.724 108.110 108.800 0.056 0.000 2.543 261 G HA2 0.450 4.410 3.960 -0.000 0.000 0.267 261 G HA3 0.450 4.410 3.960 -0.000 0.000 0.267 261 G C -1.101 173.844 174.900 0.076 0.000 1.406 261 G CA -0.196 44.964 45.100 0.100 0.000 1.048 261 G HN 0.357 nan 8.290 nan 0.000 0.548 262 W N -0.051 120.924 121.300 -0.542 0.000 2.351 262 W HA 0.527 5.186 4.660 -0.000 0.000 0.311 262 W C 1.266 177.096 176.519 -1.148 0.000 1.168 262 W CA -1.403 55.127 57.345 -1.358 0.000 1.200 262 W CB 1.560 30.317 29.460 -1.172 0.000 1.221 262 W HN 0.585 nan 8.180 nan 0.000 0.519 263 K N 1.183 120.894 120.400 -1.147 0.000 2.211 263 K HA -0.174 4.146 4.320 -0.000 0.000 0.203 263 K C 1.839 178.244 176.600 -0.324 0.000 1.050 263 K CA 1.779 57.791 56.287 -0.458 0.000 0.945 263 K CB 0.128 32.513 32.500 -0.193 0.000 0.732 263 K HN 0.475 nan 8.250 nan 0.000 0.451 264 S N 0.308 115.829 115.700 -0.298 0.000 2.383 264 S HA -0.161 4.308 4.470 -0.000 0.000 0.229 264 S C 2.168 176.668 174.600 -0.167 0.000 1.030 264 S CA 0.999 59.151 58.200 -0.080 0.000 1.002 264 S CB -0.379 62.902 63.200 0.136 0.000 0.829 264 S HN 0.382 nan 8.310 nan 0.000 0.467 265 A N 2.881 125.571 122.820 -0.217 0.000 1.897 265 A HA -0.027 4.292 4.320 -0.000 0.000 0.215 265 A C 2.152 179.587 177.584 -0.247 0.000 1.181 265 A CA 1.308 53.212 52.037 -0.221 0.000 0.620 265 A CB -0.703 18.138 19.000 -0.265 0.000 0.821 265 A HN 0.512 nan 8.150 nan 0.000 0.443 266 N N 0.680 119.218 118.700 -0.269 0.000 2.188 266 N HA -0.125 4.614 4.740 -0.000 0.000 0.184 266 N C 1.024 176.351 175.510 -0.305 0.000 1.018 266 N CA 1.475 54.375 53.050 -0.251 0.000 0.858 266 N CB -0.422 37.933 38.487 -0.219 0.000 0.989 266 N HN 0.417 nan 8.380 nan 0.000 0.426 267 D N 0.712 120.854 120.400 -0.432 0.000 2.097 267 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 267 D C 1.913 177.760 176.300 -0.755 0.000 0.989 267 D CA 0.822 54.381 54.000 -0.734 0.000 0.827 267 D CB -0.201 39.863 40.800 -1.227 0.000 0.966 267 D HN 0.140 nan 8.370 nan 0.000 0.456 268 M N -0.110 119.171 119.600 -0.532 0.000 2.132 268 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 268 M C 1.800 178.033 176.300 -0.113 0.000 1.065 268 M CA 1.136 56.346 55.300 -0.150 0.000 1.122 268 M CB -0.154 32.455 32.600 0.016 0.000 1.365 268 M HN -0.118 nan 8.290 nan 0.000 0.411 269 M N -0.387 119.111 119.600 -0.170 0.000 2.159 269 M HA -0.087 4.392 4.480 -0.000 0.000 0.263 269 M C 2.222 178.446 176.300 -0.127 0.000 1.063 269 M CA 1.759 56.966 55.300 -0.154 0.000 1.110 269 M CB -1.733 30.755 32.600 -0.187 0.000 1.374 269 M HN 0.457 nan 8.290 nan 0.000 0.411 270 A N -0.352 122.379 122.820 -0.148 0.000 2.014 270 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 270 A C 2.272 179.829 177.584 -0.045 0.000 1.163 270 A CA 1.607 53.582 52.037 -0.104 0.000 0.652 270 A CB -0.551 18.372 19.000 -0.129 0.000 0.808 270 A HN 0.476 nan 8.150 nan 0.000 0.449 271 A N -0.672 122.136 122.820 -0.021 0.000 2.132 271 A HA 0.609 4.929 4.320 -0.000 0.000 0.213 271 A C 1.367 179.000 177.584 0.081 0.000 1.154 271 A CA 0.691 52.778 52.037 0.083 0.000 0.753 271 A CB -0.583 18.559 19.000 0.236 0.000 0.826 271 A HN 0.866 nan 8.150 nan 0.000 0.469 272 A N 1.021 123.868 122.820 0.046 0.000 2.425 272 A HA 0.407 4.727 4.320 -0.000 0.000 0.249 272 A C 0.722 178.347 177.584 0.068 0.000 1.084 272 A CA 0.285 52.355 52.037 0.056 0.000 0.781 272 A CB 0.233 19.238 19.000 0.008 0.000 1.019 272 A HN 0.436 nan 8.150 nan 0.000 0.490 273 D N -0.039 120.428 120.400 0.111 0.000 2.360 273 D HA 0.158 4.798 4.640 -0.000 0.000 0.210 273 D C -0.259 176.179 176.300 0.230 0.000 1.047 273 D CA 0.183 54.267 54.000 0.140 0.000 0.854 273 D CB 0.122 41.000 40.800 0.129 0.000 0.936 273 D HN 0.281 nan 8.370 nan 0.000 0.514 274 F N 0.441 120.423 119.950 0.054 0.000 2.635 274 F HA 0.460 4.987 4.527 -0.000 0.000 0.314 274 F C -2.139 173.695 175.800 0.058 0.000 1.119 274 F CA -1.036 57.005 58.000 0.068 0.000 1.000 274 F CB 1.680 40.719 39.000 0.065 0.000 1.278 274 F HN -0.256 nan 8.300 nan 0.000 0.446 275 V N 6.001 125.359 119.914 -0.927 0.000 2.656 275 V HA 0.504 4.624 4.120 -0.000 0.000 0.307 275 V C -1.229 174.331 176.094 -0.891 0.000 1.051 275 V CA -0.804 61.084 62.300 -0.686 0.000 0.893 275 V CB 1.784 33.383 31.823 -0.373 0.000 0.999 275 V HN 0.710 nan 8.190 nan 0.000 0.426 276 L N 6.208 127.153 121.223 -0.463 0.000 2.264 276 L HA 0.599 4.938 4.340 -0.000 0.000 0.287 276 L C -0.412 176.404 176.870 -0.090 0.000 1.039 276 L CA 0.129 54.881 54.840 -0.146 0.000 0.829 276 L CB 1.246 43.358 42.059 0.087 0.000 1.211 276 L HN 0.467 nan 8.230 nan 0.000 0.427 277 V N 6.968 126.854 119.914 -0.047 0.000 2.383 277 V HA 0.398 4.518 4.120 -0.000 0.000 0.275 277 V C 0.053 176.168 176.094 0.035 0.000 1.036 277 V CA -0.397 61.864 62.300 -0.066 0.000 0.889 277 V CB 1.169 32.878 31.823 -0.190 0.000 0.985 277 V HN 0.574 nan 8.190 nan 0.000 0.459 278 L N 4.228 125.457 121.223 0.009 0.000 2.343 278 L HA 0.676 5.016 4.340 -0.000 0.000 0.278 278 L C 0.945 177.835 176.870 0.034 0.000 0.996 278 L CA -0.545 54.313 54.840 0.030 0.000 0.831 278 L CB 1.632 43.707 42.059 0.027 0.000 1.232 278 L HN 0.856 nan 8.230 nan 0.000 0.413 279 G N 1.853 110.689 108.800 0.060 0.000 2.295 279 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.287 279 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.287 279 G C -0.031 174.908 174.900 0.065 0.000 1.055 279 G CA 0.680 45.816 45.100 0.060 0.000 0.922 279 G HN 0.617 nan 8.290 nan 0.000 0.503 280 S N -1.101 114.664 115.700 0.108 0.000 2.526 280 S HA 0.675 5.145 4.470 -0.000 0.000 0.293 280 S C 1.248 175.959 174.600 0.186 0.000 1.092 280 S CA -0.060 58.188 58.200 0.080 0.000 0.980 280 S CB 0.926 64.110 63.200 -0.026 0.000 1.048 280 S HN 0.763 nan 8.310 nan 0.000 0.483 281 R N 3.585 124.165 120.500 0.134 0.000 2.317 281 R HA 0.326 4.665 4.340 -0.000 0.000 0.208 281 R C 0.077 176.477 176.300 0.165 0.000 0.914 281 R CA -0.036 56.170 56.100 0.177 0.000 1.060 281 R CB -0.838 29.543 30.300 0.135 0.000 1.015 281 R HN 0.695 nan 8.270 nan 0.000 0.498 282 L N 2.820 124.081 121.223 0.064 0.000 3.795 282 L HA -0.237 4.103 4.340 -0.000 0.000 0.489 282 L C 0.030 176.929 176.870 0.049 0.000 1.259 282 L CA 0.694 55.532 54.840 -0.004 0.000 0.765 282 L CB -1.991 40.056 42.059 -0.019 0.000 1.519 282 L HN 0.545 nan 8.230 nan 0.000 0.842 283 S N -2.423 113.281 115.700 0.006 0.000 2.652 283 S HA 0.281 4.751 4.470 -0.000 0.000 0.270 283 S C 1.011 175.526 174.600 -0.143 0.000 1.243 283 S CA -0.154 58.037 58.200 -0.016 0.000 0.999 283 S CB 2.264 65.483 63.200 0.033 0.000 0.973 283 S HN 0.405 nan 8.310 nan 0.000 0.544 284 D N 0.564 120.820 120.400 -0.240 0.000 2.127 284 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 284 D C 0.680 177.034 176.300 0.090 0.000 1.000 284 D CA 1.673 55.465 54.000 -0.346 0.000 0.839 284 D CB -0.221 40.478 40.800 -0.169 0.000 0.955 284 D HN 0.753 nan 8.370 nan 0.000 0.446 285 W N 0.735 121.988 121.300 -0.078 0.000 3.353 285 W HA 0.458 5.118 4.660 -0.001 0.000 0.304 285 W C 1.335 177.938 176.519 0.140 0.000 1.273 285 W CA -0.020 57.380 57.345 0.090 0.000 1.773 285 W CB -0.408 29.171 29.460 0.198 0.000 1.095 285 W HN -0.000 nan 8.180 nan 0.000 0.676 286 G N -0.175 108.747 108.800 0.202 0.000 3.365 286 G HA2 0.148 4.108 3.960 -0.000 0.000 0.185 286 G HA3 0.148 4.108 3.960 -0.000 0.000 0.185 286 G C 0.948 175.848 174.900 -0.001 0.000 1.565 286 G CA -0.186 44.967 45.100 0.088 0.000 0.984 286 G HN -0.188 nan 8.290 nan 0.000 0.604 287 I N 1.720 122.241 120.570 -0.081 0.000 2.361 287 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 287 I C 3.135 179.147 176.117 -0.174 0.000 1.133 287 I CA 1.447 62.651 61.300 -0.161 0.000 1.413 287 I CB -1.428 36.419 38.000 -0.256 0.000 1.073 287 I HN 0.354 nan 8.210 nan 0.000 0.424 288 A N -0.166 122.565 122.820 -0.148 0.000 2.015 288 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 288 A C 1.238 178.734 177.584 -0.146 0.000 1.163 288 A CA 0.445 52.410 52.037 -0.120 0.000 0.646 288 A CB -0.489 18.304 19.000 -0.346 0.000 0.806 288 A HN 0.607 nan 8.150 nan 0.000 0.448 289 Q N -2.273 117.445 119.800 -0.137 0.000 2.443 289 Q HA -0.201 4.139 4.340 -0.000 0.000 0.337 289 Q C 0.688 176.581 176.000 -0.178 0.000 1.401 289 Q CA 0.420 56.140 55.803 -0.138 0.000 0.943 289 Q CB -2.336 26.342 28.738 -0.099 0.000 1.177 289 Q HN 1.705 nan 8.270 nan 0.000 0.394 290 G N -0.443 108.233 108.800 -0.207 0.000 2.176 290 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.252 290 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.252 290 G C -0.026 174.858 174.900 -0.026 0.000 1.024 290 G CA 0.270 45.309 45.100 -0.103 0.000 0.755 290 G HN 0.748 nan 8.290 nan 0.000 0.507 291 Y N -3.468 116.754 120.300 -0.130 0.000 4.272 291 Y HA -0.258 4.292 4.550 -0.000 0.000 0.232 291 Y C 1.904 177.797 175.900 -0.011 0.000 1.149 291 Y CA 0.994 58.948 58.100 -0.244 0.000 1.961 291 Y CB -2.068 36.026 38.460 -0.610 0.000 1.611 291 Y HN 0.453 nan 8.280 nan 0.000 0.682 292 I N -1.556 119.070 120.570 0.093 0.000 3.526 292 I HA -0.019 4.151 4.170 -0.000 0.000 0.294 292 I C 1.208 177.390 176.117 0.110 0.000 1.229 292 I CA 0.470 61.823 61.300 0.088 0.000 1.408 292 I CB 0.149 38.158 38.000 0.015 0.000 1.127 292 I HN 0.070 nan 8.210 nan 0.000 0.439 293 T N 4.105 118.724 114.554 0.108 0.000 2.908 293 T HA 0.007 4.356 4.350 -0.000 0.000 0.301 293 T C 0.288 175.076 174.700 0.146 0.000 1.019 293 T CA 0.091 62.228 62.100 0.062 0.000 1.152 293 T CB 0.157 68.995 68.868 -0.051 0.000 0.966 293 T HN 0.008 nan 8.240 nan 0.000 0.540 294 K N 4.554 124.992 120.400 0.063 0.000 2.263 294 K HA 0.273 4.593 4.320 -0.000 0.000 0.282 294 K C 0.065 176.658 176.600 -0.011 0.000 1.089 294 K CA -0.374 55.961 56.287 0.080 0.000 0.907 294 K CB 0.654 33.184 32.500 0.050 0.000 1.148 294 K HN 0.483 nan 8.250 nan 0.000 0.470 295 M N 3.778 123.359 119.600 -0.032 0.000 2.217 295 M HA 0.215 4.695 4.480 -0.000 0.000 0.354 295 M C -1.806 174.487 176.300 -0.012 0.000 1.225 295 M CA -2.147 53.042 55.300 -0.185 0.000 1.137 295 M CB -0.148 32.188 32.600 -0.441 0.000 1.576 295 M HN 0.228 nan 8.290 nan 0.000 0.461 296 P HA 0.071 nan 4.420 nan 0.000 0.271 296 P C -0.846 176.561 177.300 0.177 0.000 1.244 296 P CA -0.442 62.692 63.100 0.057 0.000 0.793 296 P CB 0.202 31.909 31.700 0.011 0.000 0.984 297 K N 1.223 121.745 120.400 0.203 0.000 2.550 297 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 297 K C -0.686 176.064 176.600 0.250 0.000 0.987 297 K CA 0.256 56.695 56.287 0.253 0.000 1.048 297 K CB -0.489 32.155 32.500 0.239 0.000 0.879 297 K HN 0.461 nan 8.250 nan 0.000 0.491 298 F N -0.643 119.304 119.950 -0.004 0.000 2.631 298 F HA 0.510 5.037 4.527 -0.000 0.000 0.308 298 F C -1.633 174.166 175.800 -0.001 0.000 1.097 298 F CA -1.451 56.433 58.000 -0.194 0.000 0.952 298 F CB 0.976 39.819 39.000 -0.261 0.000 1.307 298 F HN 0.149 nan 8.300 nan 0.000 0.450 299 V N 2.403 122.320 119.914 0.004 0.000 2.472 299 V HA 0.367 4.487 4.120 -0.000 0.000 0.290 299 V C -0.880 175.293 176.094 0.131 0.000 1.037 299 V CA -0.426 61.908 62.300 0.056 0.000 0.908 299 V CB 1.319 33.276 31.823 0.222 0.000 0.985 299 V HN 0.985 nan 8.190 nan 0.000 0.454 300 H N 3.102 122.153 119.070 -0.031 0.000 2.727 300 H HA 0.686 5.242 4.556 -0.000 0.000 0.330 300 H C -1.525 173.750 175.328 -0.088 0.000 0.986 300 H CA -0.665 55.416 56.048 0.054 0.000 1.251 300 H CB 1.792 31.664 29.762 0.184 0.000 1.493 300 H HN 0.478 nan 8.280 nan 0.000 0.515 301 V N 6.023 125.967 119.914 0.050 0.000 2.407 301 V HA 0.288 4.407 4.120 -0.000 0.000 0.291 301 V C -0.321 175.704 176.094 -0.116 0.000 1.018 301 V CA -0.599 61.580 62.300 -0.202 0.000 0.842 301 V CB 1.502 33.059 31.823 -0.444 0.000 0.996 301 V HN 0.827 nan 8.190 nan 0.000 0.426 302 D N 2.054 122.357 120.400 -0.161 0.000 2.609 302 D HA 0.236 4.876 4.640 -0.000 0.000 0.239 302 D C 0.835 177.080 176.300 -0.091 0.000 1.229 302 D CA 0.045 53.987 54.000 -0.097 0.000 0.808 302 D CB 3.030 43.750 40.800 -0.134 0.000 1.448 302 D HN 0.567 nan 8.370 nan 0.000 0.433 303 T N -1.407 113.118 114.554 -0.049 0.000 3.055 303 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 303 T C 0.507 175.184 174.700 -0.039 0.000 1.111 303 T CA 0.397 62.447 62.100 -0.082 0.000 1.118 303 T CB 0.157 68.910 68.868 -0.192 0.000 0.909 303 T HN 0.178 nan 8.240 nan 0.000 0.501 304 D N 2.118 122.521 120.400 0.005 0.000 2.460 304 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 304 D C -2.004 174.285 176.300 -0.019 0.000 1.079 304 D CA -2.794 51.220 54.000 0.023 0.000 0.864 304 D CB 1.921 42.759 40.800 0.063 0.000 1.048 304 D HN -0.048 nan 8.370 nan 0.000 0.523 305 P HA -0.069 nan 4.420 nan 0.000 0.221 305 P C 1.013 178.298 177.300 -0.024 0.000 1.145 305 P CA 0.723 63.798 63.100 -0.042 0.000 0.795 305 P CB 0.236 31.916 31.700 -0.034 0.000 0.775 306 A N -0.087 122.735 122.820 0.003 0.000 2.070 306 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 306 A C 2.162 179.774 177.584 0.046 0.000 1.159 306 A CA 1.807 53.859 52.037 0.025 0.000 0.656 306 A CB -1.580 17.442 19.000 0.037 0.000 0.800 306 A HN 0.245 nan 8.150 nan 0.000 0.453 307 V N -2.328 117.607 119.914 0.035 0.000 2.951 307 V HA 0.213 4.333 4.120 -0.000 0.000 0.255 307 V C 0.829 176.963 176.094 0.067 0.000 1.088 307 V CA 0.398 62.745 62.300 0.078 0.000 1.109 307 V CB -0.816 31.062 31.823 0.091 0.000 0.724 307 V HN 0.318 nan 8.190 nan 0.000 0.471 308 L N 2.701 123.891 121.223 -0.056 0.000 2.325 308 L HA 0.625 4.964 4.340 -0.000 0.000 0.284 308 L C 1.402 178.301 176.870 0.048 0.000 1.089 308 L CA 0.597 55.379 54.840 -0.098 0.000 0.836 308 L CB 0.265 42.212 42.059 -0.188 0.000 1.184 308 L HN 0.520 nan 8.230 nan 0.000 0.444 309 G N 1.665 110.586 108.800 0.202 0.000 2.143 309 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.249 309 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.249 309 G C 0.869 175.904 174.900 0.226 0.000 0.981 309 G CA 0.633 45.837 45.100 0.174 0.000 0.665 309 G HN 0.635 nan 8.290 nan 0.000 0.528 310 T N -1.921 112.801 114.554 0.280 0.000 2.821 310 T HA 0.196 4.545 4.350 -0.000 0.000 0.267 310 T C 1.621 176.545 174.700 0.374 0.000 1.046 310 T CA 2.257 64.522 62.100 0.276 0.000 1.139 310 T CB -0.061 68.950 68.868 0.237 0.000 0.871 310 T HN 0.762 nan 8.240 nan 0.000 0.454 311 F N -1.275 118.846 119.950 0.286 0.000 2.334 311 F HA 0.413 4.940 4.527 -0.000 0.000 0.269 311 F C -0.723 175.079 175.800 0.004 0.000 0.879 311 F CA -0.853 57.205 58.000 0.095 0.000 1.102 311 F CB 0.720 39.737 39.000 0.028 0.000 1.032 311 F HN -0.065 nan 8.300 nan 0.000 0.782 312 Y N 2.053 122.637 120.300 0.473 0.000 2.404 312 Y HA 0.314 4.863 4.550 -0.000 0.000 0.344 312 Y C -0.759 175.528 175.900 0.645 0.000 0.995 312 Y CA -0.768 57.593 58.100 0.434 0.000 1.201 312 Y CB 0.253 38.960 38.460 0.411 0.000 1.151 312 Y HN -0.154 nan 8.280 nan 0.000 0.517 313 F N 5.266 125.401 119.950 0.309 0.000 2.413 313 F HA 0.339 4.866 4.527 -0.000 0.000 0.359 313 F C -1.933 173.852 175.800 -0.025 0.000 1.122 313 F CA -3.815 54.259 58.000 0.125 0.000 1.160 313 F CB 0.156 39.172 39.000 0.028 0.000 1.146 313 F HN 0.344 nan 8.300 nan 0.000 0.514 314 P HA 0.092 nan 4.420 nan 0.000 0.274 314 P C 1.007 178.097 177.300 -0.349 0.000 1.246 314 P CA -0.520 62.100 63.100 -0.800 0.000 0.795 314 P CB 1.010 32.313 31.700 -0.662 0.000 1.006 315 L N 1.525 122.550 121.223 -0.329 0.000 2.046 315 L HA 0.058 4.397 4.340 -0.000 0.000 0.208 315 L C 0.393 177.216 176.870 -0.080 0.000 1.077 315 L CA 1.993 56.774 54.840 -0.098 0.000 0.747 315 L CB -0.486 41.580 42.059 0.011 0.000 0.896 315 L HN 0.323 nan 8.230 nan 0.000 0.432 316 L N -0.916 120.242 121.223 -0.109 0.000 2.505 316 L HA 0.499 4.839 4.340 -0.000 0.000 0.266 316 L C -1.001 175.819 176.870 -0.083 0.000 0.954 316 L CA -0.155 54.648 54.840 -0.061 0.000 0.852 316 L CB 1.888 43.952 42.059 0.008 0.000 1.282 316 L HN -0.125 nan 8.230 nan 0.000 0.403 317 S N 3.514 119.165 115.700 -0.082 0.000 2.462 317 S HA 0.874 5.343 4.470 -0.000 0.000 0.294 317 S C -0.855 173.685 174.600 -0.099 0.000 1.144 317 S CA -0.560 57.586 58.200 -0.089 0.000 1.088 317 S CB 1.656 64.799 63.200 -0.096 0.000 1.009 317 S HN 0.464 nan 8.310 nan 0.000 0.484 318 V N 3.293 123.120 119.914 -0.145 0.000 2.577 318 V HA 0.347 4.467 4.120 -0.000 0.000 0.303 318 V C -0.496 175.492 176.094 -0.177 0.000 1.042 318 V CA -0.837 61.363 62.300 -0.166 0.000 0.872 318 V CB 1.913 33.556 31.823 -0.300 0.000 0.998 318 V HN 0.663 nan 8.190 nan 0.000 0.423 319 V N 4.303 124.148 119.914 -0.114 0.000 2.372 319 V HA 0.813 4.932 4.120 -0.000 0.000 0.261 319 V C 0.469 176.516 176.094 -0.079 0.000 1.055 319 V CA 0.345 62.586 62.300 -0.098 0.000 0.930 319 V CB 0.512 32.295 31.823 -0.067 0.000 1.031 319 V HN 1.116 nan 8.190 nan 0.000 0.479 320 A N 3.735 126.496 122.820 -0.100 0.000 2.608 320 A HA 0.583 4.903 4.320 -0.000 0.000 0.292 320 A C -1.030 176.514 177.584 -0.066 0.000 1.066 320 A CA -0.796 51.206 52.037 -0.058 0.000 0.676 320 A CB 1.272 20.274 19.000 0.003 0.000 1.277 320 A HN 0.695 nan 8.150 nan 0.000 0.413 321 D N 1.117 121.486 120.400 -0.051 0.000 2.424 321 D HA 0.486 5.125 4.640 -0.000 0.000 0.244 321 D C 1.280 177.584 176.300 0.006 0.000 1.134 321 D CA 0.783 54.758 54.000 -0.042 0.000 0.881 321 D CB 1.385 42.149 40.800 -0.060 0.000 1.191 321 D HN 0.761 nan 8.370 nan 0.000 0.445 322 A N 4.665 127.496 122.820 0.018 0.000 1.858 322 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 322 A C 1.989 179.614 177.584 0.069 0.000 1.190 322 A CA 1.759 53.828 52.037 0.054 0.000 0.617 322 A CB -0.628 18.396 19.000 0.039 0.000 0.827 322 A HN 0.747 nan 8.150 nan 0.000 0.443 323 K N -0.925 119.494 120.400 0.032 0.000 2.032 323 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 323 K C 2.049 178.646 176.600 -0.005 0.000 1.048 323 K CA 2.036 58.333 56.287 0.017 0.000 0.927 323 K CB -0.450 32.054 32.500 0.007 0.000 0.712 323 K HN 0.450 nan 8.250 nan 0.000 0.441 324 T N 0.767 115.295 114.554 -0.043 0.000 2.684 324 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 324 T C 1.449 176.100 174.700 -0.083 0.000 1.036 324 T CA 1.565 63.579 62.100 -0.144 0.000 1.148 324 T CB -0.431 68.243 68.868 -0.323 0.000 0.863 324 T HN 0.282 nan 8.240 nan 0.000 0.436 325 F N 1.463 121.339 119.950 -0.123 0.000 2.134 325 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 325 F C 2.308 178.079 175.800 -0.048 0.000 1.097 325 F CA 1.243 59.198 58.000 -0.074 0.000 1.264 325 F CB -0.410 38.564 39.000 -0.043 0.000 1.001 325 F HN 0.063 nan 8.300 nan 0.000 0.479 326 M N -0.196 119.431 119.600 0.045 0.000 2.108 326 M HA -0.247 4.233 4.480 -0.000 0.000 0.261 326 M C 2.036 178.276 176.300 -0.100 0.000 1.066 326 M CA 2.020 57.302 55.300 -0.030 0.000 1.107 326 M CB -0.620 31.998 32.600 0.029 0.000 1.356 326 M HN 0.167 nan 8.290 nan 0.000 0.406 327 E N 0.024 120.174 120.200 -0.082 0.000 2.077 327 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 327 E C 2.069 178.598 176.600 -0.119 0.000 0.989 327 E CA 1.123 57.475 56.400 -0.079 0.000 0.800 327 E CB -0.125 29.546 29.700 -0.049 0.000 0.746 327 E HN 0.574 nan 8.360 nan 0.000 0.452 328 Q N 0.033 119.727 119.800 -0.176 0.000 2.124 328 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 328 Q C 2.097 177.938 176.000 -0.267 0.000 0.977 328 Q CA 0.788 56.468 55.803 -0.205 0.000 0.850 328 Q CB -0.005 28.583 28.738 -0.250 0.000 0.901 328 Q HN 0.182 nan 8.270 nan 0.000 0.429 329 L N 0.484 121.489 121.223 -0.363 0.000 2.056 329 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 329 L C 2.089 178.826 176.870 -0.222 0.000 1.078 329 L CA 1.505 56.154 54.840 -0.320 0.000 0.749 329 L CB -0.710 41.166 42.059 -0.305 0.000 0.901 329 L HN 0.246 nan 8.230 nan 0.000 0.433 330 I N -0.639 119.827 120.570 -0.173 0.000 2.264 330 I HA -0.325 3.845 4.170 -0.000 0.000 0.248 330 I C 2.466 178.496 176.117 -0.146 0.000 1.111 330 I CA 1.359 62.572 61.300 -0.144 0.000 1.382 330 I CB -0.151 37.798 38.000 -0.085 0.000 1.060 330 I HN 0.343 nan 8.210 nan 0.000 0.418 331 E N 0.427 120.551 120.200 -0.125 0.000 2.107 331 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 331 E C 2.147 178.677 176.600 -0.118 0.000 0.982 331 E CA 0.941 57.281 56.400 -0.100 0.000 0.809 331 E CB 0.224 29.882 29.700 -0.070 0.000 0.756 331 E HN 0.235 nan 8.360 nan 0.000 0.459 332 V N 0.601 120.426 119.914 -0.149 0.000 2.951 332 V HA -0.096 4.024 4.120 -0.000 0.000 0.255 332 V C 2.070 178.050 176.094 -0.189 0.000 1.088 332 V CA 0.682 62.896 62.300 -0.143 0.000 1.109 332 V CB -0.149 31.590 31.823 -0.139 0.000 0.724 332 V HN 0.311 nan 8.190 nan 0.000 0.471 333 L N 0.201 121.247 121.223 -0.296 0.000 2.042 333 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 333 L C -0.081 176.470 176.870 -0.531 0.000 1.076 333 L CA 1.964 56.486 54.840 -0.530 0.000 0.749 333 L CB -1.535 40.026 42.059 -0.829 0.000 0.893 333 L HN 0.341 nan 8.230 nan 0.000 0.432 334 P HA -0.132 nan 4.420 nan 0.000 0.219 334 P C 1.042 178.365 177.300 0.037 0.000 1.146 334 P CA 1.504 64.578 63.100 -0.044 0.000 0.808 334 P CB -0.052 31.643 31.700 -0.007 0.000 0.779 335 G N -1.831 106.955 108.800 -0.023 0.000 3.523 335 G HA2 0.053 4.013 3.960 -0.000 0.000 0.270 335 G HA3 0.053 4.013 3.960 -0.000 0.000 0.270 335 G C 0.035 174.936 174.900 0.002 0.000 1.134 335 G CA 0.084 45.186 45.100 0.003 0.000 0.825 335 G HN 0.126 nan 8.290 nan 0.000 0.534 336 T N 1.310 115.866 114.554 0.003 0.000 2.806 336 T HA 0.376 4.725 4.350 -0.000 0.000 0.290 336 T C 0.535 175.278 174.700 0.072 0.000 0.966 336 T CA -0.104 62.006 62.100 0.016 0.000 1.060 336 T CB 1.393 70.247 68.868 -0.024 0.000 0.927 336 T HN 0.075 nan 8.240 nan 0.000 0.485 337 S N 2.213 117.940 115.700 0.045 0.000 2.552 337 S HA 0.385 4.854 4.470 -0.000 0.000 0.289 337 S C 1.606 176.243 174.600 0.063 0.000 1.304 337 S CA 0.620 58.848 58.200 0.047 0.000 1.063 337 S CB 0.319 63.533 63.200 0.024 0.000 0.848 337 S HN 1.138 nan 8.310 nan 0.000 0.499 338 G N 2.460 111.296 108.800 0.060 0.000 2.253 338 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 338 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 338 G C 0.056 174.998 174.900 0.070 0.000 0.998 338 G CA -0.035 45.094 45.100 0.049 0.000 0.621 338 G HN 0.669 nan 8.290 nan 0.000 0.524 339 F N 2.839 122.785 119.950 -0.007 0.000 2.495 339 F HA 0.601 5.128 4.527 -0.000 0.000 0.365 339 F C 0.427 176.227 175.800 0.001 0.000 1.090 339 F CA -0.068 57.931 58.000 -0.002 0.000 1.235 339 F CB 0.621 39.618 39.000 -0.004 0.000 1.119 339 F HN -0.075 nan 8.300 nan 0.000 0.562 340 K N 5.143 124.999 120.400 -0.906 0.000 2.427 340 K HA 0.518 4.838 4.320 -0.000 0.000 0.252 340 K C -1.140 174.860 176.600 -1.000 0.000 0.931 340 K CA -0.922 54.939 56.287 -0.710 0.000 0.793 340 K CB 1.984 34.285 32.500 -0.330 0.000 1.211 340 K HN 0.659 nan 8.250 nan 0.000 0.426 341 A N 2.769 125.253 122.820 -0.559 0.000 2.438 341 A HA 0.419 4.739 4.320 -0.000 0.000 0.280 341 A C -0.267 177.216 177.584 -0.169 0.000 1.160 341 A CA -0.142 51.742 52.037 -0.256 0.000 0.821 341 A CB -0.092 18.909 19.000 0.000 0.000 1.101 341 A HN 0.332 nan 8.150 nan 0.000 0.515 342 V N 4.070 123.899 119.914 -0.142 0.000 2.841 342 V HA 0.339 4.459 4.120 -0.000 0.000 0.310 342 V C 0.285 176.347 176.094 -0.054 0.000 1.090 342 V CA -0.957 61.284 62.300 -0.097 0.000 0.930 342 V CB 2.055 33.810 31.823 -0.112 0.000 1.014 342 V HN 1.009 nan 8.190 nan 0.000 0.425 343 R N 1.942 122.391 120.500 -0.084 0.000 2.585 343 R HA 0.028 4.367 4.340 -0.000 0.000 0.275 343 R C 1.086 177.281 176.300 -0.175 0.000 1.018 343 R CA 0.250 56.266 56.100 -0.139 0.000 1.072 343 R CB 0.206 30.367 30.300 -0.231 0.000 0.953 343 R HN 0.900 nan 8.270 nan 0.000 0.419 344 Y N 1.333 121.564 120.300 -0.115 0.000 2.256 344 Y HA -0.212 4.337 4.550 -0.000 0.000 0.288 344 Y C 1.359 176.977 175.900 -0.470 0.000 1.155 344 Y CA 1.004 59.014 58.100 -0.150 0.000 1.203 344 Y CB -0.299 38.154 38.460 -0.012 0.000 0.980 344 Y HN 0.496 nan 8.280 nan 0.000 0.530 345 Q N 0.874 120.051 119.800 -1.038 0.000 2.364 345 Q HA -0.080 4.260 4.340 -0.000 0.000 0.207 345 Q C 1.288 176.920 176.000 -0.613 0.000 0.970 345 Q CA 1.642 56.611 55.803 -1.388 0.000 0.888 345 Q CB -0.155 27.997 28.738 -0.977 0.000 0.951 345 Q HN 0.714 nan 8.270 nan 0.000 0.469 346 E N -0.252 119.744 120.200 -0.341 0.000 2.481 346 E HA 0.074 4.424 4.350 -0.000 0.000 0.198 346 E C -0.115 176.453 176.600 -0.053 0.000 1.027 346 E CA -0.255 56.059 56.400 -0.143 0.000 0.900 346 E CB 0.533 30.156 29.700 -0.128 0.000 0.993 346 E HN 0.112 nan 8.360 nan 0.000 0.482 347 R N 1.551 122.038 120.500 -0.022 0.000 2.582 347 R HA 0.010 4.349 4.340 -0.000 0.000 0.271 347 R C 1.309 177.669 176.300 0.101 0.000 1.078 347 R CA 0.155 56.285 56.100 0.050 0.000 1.127 347 R CB 0.362 30.721 30.300 0.099 0.000 1.038 347 R HN 0.333 nan 8.270 nan 0.000 0.500 348 E N 1.513 121.759 120.200 0.077 0.000 2.268 348 E HA -0.188 4.161 4.350 -0.000 0.000 0.195 348 E C 0.605 177.262 176.600 0.094 0.000 0.995 348 E CA 1.149 57.594 56.400 0.075 0.000 0.836 348 E CB -0.008 29.720 29.700 0.047 0.000 0.763 348 E HN 0.563 nan 8.360 nan 0.000 0.491 349 N N 0.441 119.214 118.700 0.122 0.000 2.412 349 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 349 N C 1.436 177.040 175.510 0.156 0.000 1.101 349 N CA 0.090 53.209 53.050 0.116 0.000 0.881 349 N CB -0.549 38.009 38.487 0.119 0.000 0.969 349 N HN 0.169 nan 8.380 nan 0.000 0.459 350 F N 2.581 122.562 119.950 0.051 0.000 2.113 350 F HA 0.036 4.562 4.527 -0.000 0.000 0.297 350 F C 2.665 178.484 175.800 0.032 0.000 1.103 350 F CA 1.190 59.236 58.000 0.076 0.000 1.248 350 F CB -0.224 38.838 39.000 0.104 0.000 0.999 350 F HN -0.008 nan 8.300 nan 0.000 0.475 351 R N 0.344 120.849 120.500 0.008 0.000 2.083 351 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 351 R C 2.449 178.605 176.300 -0.241 0.000 1.137 351 R CA 2.003 58.023 56.100 -0.133 0.000 0.951 351 R CB -0.717 29.569 30.300 -0.024 0.000 0.851 351 R HN 0.528 nan 8.270 nan 0.000 0.434 352 Q N -0.100 119.564 119.800 -0.227 0.000 2.077 352 Q HA -0.228 4.111 4.340 -0.000 0.000 0.206 352 Q C 1.888 177.516 176.000 -0.619 0.000 0.989 352 Q CA 2.158 57.701 55.803 -0.433 0.000 0.853 352 Q CB -0.228 28.314 28.738 -0.327 0.000 0.907 352 Q HN 0.503 nan 8.270 nan 0.000 0.418 353 A N 0.423 123.048 122.820 -0.324 0.000 1.898 353 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 353 A C 2.300 179.788 177.584 -0.159 0.000 1.181 353 A CA 2.119 54.063 52.037 -0.155 0.000 0.620 353 A CB -1.227 17.758 19.000 -0.024 0.000 0.819 353 A HN 0.713 nan 8.150 nan 0.000 0.442 354 T N -1.911 112.447 114.554 -0.326 0.000 2.833 354 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 354 T C 1.563 176.187 174.700 -0.127 0.000 1.054 354 T CA 1.584 63.527 62.100 -0.261 0.000 1.135 354 T CB -0.407 68.184 68.868 -0.463 0.000 0.869 354 T HN 0.618 nan 8.240 nan 0.000 0.466 355 E N 0.346 120.432 120.200 -0.191 0.000 2.077 355 E HA -0.023 4.326 4.350 -0.000 0.000 0.193 355 E C 1.859 178.473 176.600 0.023 0.000 0.989 355 E CA 1.115 57.441 56.400 -0.123 0.000 0.800 355 E CB -0.280 29.291 29.700 -0.216 0.000 0.746 355 E HN 0.487 nan 8.360 nan 0.000 0.452 356 F N 0.975 120.936 119.950 0.019 0.000 2.095 356 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 356 F C 2.531 178.399 175.800 0.114 0.000 1.104 356 F CA 1.181 59.211 58.000 0.049 0.000 1.232 356 F CB -0.810 38.206 39.000 0.025 0.000 0.987 356 F HN -0.066 nan 8.300 nan 0.000 0.475 357 R N 0.865 121.544 120.500 0.298 0.000 2.075 357 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 357 R C 2.176 178.637 176.300 0.268 0.000 1.126 357 R CA 1.526 57.809 56.100 0.306 0.000 0.963 357 R CB -1.028 29.428 30.300 0.260 0.000 0.858 357 R HN 0.177 nan 8.270 nan 0.000 0.435 358 A N 0.335 123.254 122.820 0.164 0.000 1.908 358 A HA -0.070 4.249 4.320 -0.000 0.000 0.218 358 A C 2.391 180.051 177.584 0.126 0.000 1.181 358 A CA 1.874 53.980 52.037 0.114 0.000 0.627 358 A CB -1.123 17.912 19.000 0.059 0.000 0.818 358 A HN 0.496 nan 8.150 nan 0.000 0.445 359 A N -1.170 121.750 122.820 0.167 0.000 1.902 359 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 359 A C 2.133 179.847 177.584 0.216 0.000 1.181 359 A CA 1.421 53.560 52.037 0.170 0.000 0.623 359 A CB -0.940 18.170 19.000 0.183 0.000 0.818 359 A HN 0.890 nan 8.150 nan 0.000 0.443 360 W N 1.100 122.446 121.300 0.077 0.000 2.355 360 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 360 W C 0.993 177.545 176.519 0.056 0.000 1.206 360 W CA 1.906 59.288 57.345 0.062 0.000 1.284 360 W CB -0.290 29.206 29.460 0.060 0.000 1.145 360 W HN 0.394 nan 8.180 nan 0.000 0.502 361 D N 0.136 120.520 120.400 -0.027 0.000 2.149 361 D HA -0.127 4.512 4.640 -0.000 0.000 0.198 361 D C 2.380 178.550 176.300 -0.216 0.000 0.990 361 D CA 2.017 55.899 54.000 -0.196 0.000 0.839 361 D CB -1.076 39.709 40.800 -0.025 0.000 0.948 361 D HN 0.309 nan 8.370 nan 0.000 0.460 362 G N -0.349 108.394 108.800 -0.094 0.000 2.418 362 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.217 362 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.217 362 G C 1.549 176.361 174.900 -0.146 0.000 1.158 362 G CA 0.535 45.580 45.100 -0.092 0.000 0.771 362 G HN 0.312 nan 8.290 nan 0.000 0.545 363 W N 1.042 122.146 121.300 -0.327 0.000 2.358 363 W HA -0.089 4.570 4.660 -0.000 0.000 0.303 363 W C 2.485 178.621 176.519 -0.638 0.000 1.208 363 W CA 1.731 58.830 57.345 -0.409 0.000 1.274 363 W CB -0.281 28.972 29.460 -0.345 0.000 1.138 363 W HN 0.032 nan 8.180 nan 0.000 0.515 364 V N 1.899 121.362 119.914 -0.751 0.000 2.287 364 V HA -0.353 3.766 4.120 -0.000 0.000 0.248 364 V C 2.665 178.328 176.094 -0.719 0.000 1.053 364 V CA 2.141 63.840 62.300 -1.002 0.000 1.027 364 V CB -0.980 30.275 31.823 -0.946 0.000 0.646 364 V HN 0.129 nan 8.190 nan 0.000 0.447 365 R N 0.298 120.511 120.500 -0.478 0.000 2.096 365 R HA -0.203 4.136 4.340 -0.000 0.000 0.240 365 R C 2.167 178.247 176.300 -0.367 0.000 1.139 365 R CA 1.769 57.667 56.100 -0.337 0.000 0.952 365 R CB -0.757 29.408 30.300 -0.225 0.000 0.854 365 R HN 0.659 nan 8.270 nan 0.000 0.436 366 E N 0.557 120.495 120.200 -0.436 0.000 2.085 366 E HA -0.189 4.160 4.350 -0.000 0.000 0.194 366 E C 2.017 178.306 176.600 -0.519 0.000 0.994 366 E CA 0.945 57.087 56.400 -0.430 0.000 0.801 366 E CB 0.009 29.440 29.700 -0.449 0.000 0.743 366 E HN 0.276 nan 8.360 nan 0.000 0.453 367 Q N 0.302 119.620 119.800 -0.803 0.000 2.224 367 Q HA -0.169 4.170 4.340 -0.000 0.000 0.203 367 Q C 1.721 177.484 176.000 -0.395 0.000 0.970 367 Q CA 1.368 56.712 55.803 -0.765 0.000 0.865 367 Q CB -0.147 27.756 28.738 -1.391 0.000 0.922 367 Q HN 0.615 nan 8.270 nan 0.000 0.445 368 E N -1.119 118.875 120.200 -0.343 0.000 2.476 368 E HA 0.150 4.500 4.350 -0.000 0.000 0.199 368 E C 1.075 177.593 176.600 -0.137 0.000 1.021 368 E CA 0.178 56.479 56.400 -0.166 0.000 0.907 368 E CB 0.281 29.899 29.700 -0.137 0.000 0.974 368 E HN -0.054 nan 8.360 nan 0.000 0.489 369 S N 0.640 116.241 115.700 -0.166 0.000 2.517 369 S HA 0.187 4.657 4.470 -0.000 0.000 0.214 369 S C 0.948 175.487 174.600 -0.101 0.000 0.991 369 S CA 0.192 58.317 58.200 -0.126 0.000 0.906 369 S CB 0.664 63.782 63.200 -0.137 0.000 0.789 369 S HN 0.428 nan 8.310 nan 0.000 0.513 370 G N 1.713 110.450 108.800 -0.106 0.000 2.483 370 G HA2 0.379 4.339 3.960 -0.000 0.000 0.248 370 G HA3 0.379 4.339 3.960 -0.000 0.000 0.248 370 G C -0.626 174.238 174.900 -0.060 0.000 1.248 370 G CA -0.349 44.703 45.100 -0.080 0.000 0.838 370 G HN 0.123 nan 8.290 nan 0.000 0.566 371 D N -0.332 120.039 120.400 -0.048 0.000 2.549 371 D HA 0.635 5.275 4.640 -0.000 0.000 0.270 371 D C 0.924 177.205 176.300 -0.032 0.000 1.181 371 D CA 0.933 54.912 54.000 -0.035 0.000 1.070 371 D CB 1.252 42.035 40.800 -0.029 0.000 1.154 371 D HN 0.941 nan 8.370 nan 0.000 0.602 372 G N -0.547 108.239 108.800 -0.023 0.000 2.698 372 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.225 372 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.225 372 G C -0.854 174.034 174.900 -0.020 0.000 1.345 372 G CA -0.621 44.467 45.100 -0.021 0.000 0.871 372 G HN 0.310 nan 8.290 nan 0.000 0.540 373 M N 0.618 120.206 119.600 -0.020 0.000 2.465 373 M HA 0.429 4.909 4.480 -0.000 0.000 0.316 373 M C -2.070 174.213 176.300 -0.028 0.000 1.121 373 M CA -1.519 53.769 55.300 -0.020 0.000 0.934 373 M CB 0.911 33.503 32.600 -0.013 0.000 1.692 373 M HN 0.514 nan 8.290 nan 0.000 0.444 374 P HA 0.390 nan 4.420 nan 0.000 0.269 374 P C -0.873 176.406 177.300 -0.035 0.000 1.209 374 P CA -0.391 62.689 63.100 -0.033 0.000 0.776 374 P CB 0.375 32.047 31.700 -0.048 0.000 0.876 375 A N 1.763 124.568 122.820 -0.024 0.000 2.371 375 A HA 0.381 4.701 4.320 -0.000 0.000 0.257 375 A C 0.563 178.111 177.584 -0.060 0.000 1.089 375 A CA -0.320 51.700 52.037 -0.028 0.000 0.794 375 A CB 0.054 19.056 19.000 0.003 0.000 1.029 375 A HN 0.531 nan 8.150 nan 0.000 0.488 376 S N 1.887 117.549 115.700 -0.064 0.000 2.531 376 S HA 0.194 4.664 4.470 -0.000 0.000 0.279 376 S C 1.252 175.784 174.600 -0.114 0.000 1.305 376 S CA -0.323 57.831 58.200 -0.076 0.000 1.058 376 S CB -0.159 63.008 63.200 -0.055 0.000 0.899 376 S HN 0.569 nan 8.310 nan 0.000 0.493 377 M N 4.358 123.818 119.600 -0.233 0.000 2.279 377 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 377 M C 1.096 177.226 176.300 -0.283 0.000 1.062 377 M CA 1.530 56.573 55.300 -0.428 0.000 1.099 377 M CB -0.351 31.795 32.600 -0.757 0.000 1.394 377 M HN 0.775 nan 8.290 nan 0.000 0.426 378 F N 0.011 119.849 119.950 -0.185 0.000 2.171 378 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 378 F C 2.642 178.357 175.800 -0.142 0.000 1.090 378 F CA 1.199 59.099 58.000 -0.167 0.000 1.293 378 F CB -0.341 38.511 39.000 -0.247 0.000 1.013 378 F HN 0.060 nan 8.300 nan 0.000 0.486 379 R N 1.187 121.708 120.500 0.034 0.000 2.073 379 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 379 R C 2.155 178.456 176.300 0.001 0.000 1.134 379 R CA 1.660 57.756 56.100 -0.007 0.000 0.952 379 R CB -1.104 29.180 30.300 -0.027 0.000 0.850 379 R HN 0.181 nan 8.270 nan 0.000 0.433 380 A N 0.420 123.248 122.820 0.013 0.000 1.883 380 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 380 A C 2.138 179.743 177.584 0.035 0.000 1.186 380 A CA 1.925 54.001 52.037 0.065 0.000 0.624 380 A CB -0.484 18.634 19.000 0.196 0.000 0.822 380 A HN 0.327 nan 8.150 nan 0.000 0.444 381 M N -0.590 119.015 119.600 0.009 0.000 2.175 381 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 381 M C 2.495 178.778 176.300 -0.029 0.000 1.063 381 M CA 1.417 56.709 55.300 -0.013 0.000 1.119 381 M CB -1.504 31.084 32.600 -0.021 0.000 1.377 381 M HN 0.502 nan 8.290 nan 0.000 0.415 382 A N 0.150 122.963 122.820 -0.012 0.000 1.933 382 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 382 A C 2.062 179.621 177.584 -0.041 0.000 1.175 382 A CA 1.413 53.434 52.037 -0.026 0.000 0.628 382 A CB -0.441 18.542 19.000 -0.029 0.000 0.814 382 A HN 0.432 nan 8.150 nan 0.000 0.444 383 E N -0.089 120.090 120.200 -0.036 0.000 2.072 383 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 383 E C 2.225 178.774 176.600 -0.085 0.000 0.985 383 E CA 1.242 57.619 56.400 -0.038 0.000 0.801 383 E CB -0.716 28.978 29.700 -0.010 0.000 0.750 383 E HN 0.400 nan 8.360 nan 0.000 0.452 384 V N 1.835 121.662 119.914 -0.146 0.000 2.287 384 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 384 V C 2.406 178.307 176.094 -0.321 0.000 1.053 384 V CA 1.881 63.964 62.300 -0.362 0.000 1.027 384 V CB -0.517 31.012 31.823 -0.490 0.000 0.646 384 V HN 0.214 nan 8.190 nan 0.000 0.447 385 R N 0.043 120.436 120.500 -0.178 0.000 2.159 385 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 385 R C 2.274 178.531 176.300 -0.072 0.000 1.131 385 R CA 1.229 57.264 56.100 -0.108 0.000 0.982 385 R CB -0.341 29.933 30.300 -0.044 0.000 0.868 385 R HN 0.531 nan 8.270 nan 0.000 0.453 386 K N 0.477 120.839 120.400 -0.064 0.000 2.283 386 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 386 K C 1.522 178.113 176.600 -0.015 0.000 1.048 386 K CA 1.197 57.466 56.287 -0.030 0.000 0.948 386 K CB 0.302 32.789 32.500 -0.022 0.000 0.742 386 K HN 0.168 nan 8.250 nan 0.000 0.458 387 V N -1.881 118.014 119.914 -0.031 0.000 3.176 387 V HA 0.190 4.309 4.120 -0.000 0.000 0.332 387 V C -0.062 176.076 176.094 0.073 0.000 1.414 387 V CA -0.672 61.647 62.300 0.032 0.000 1.133 387 V CB -0.013 31.860 31.823 0.083 0.000 1.088 387 V HN 0.047 nan 8.190 nan 0.000 0.473 388 Q N 1.722 121.524 119.800 0.003 0.000 2.271 388 Q HA 0.559 4.899 4.340 -0.000 0.000 0.258 388 Q C -0.373 175.678 176.000 0.084 0.000 0.936 388 Q CA -0.629 55.203 55.803 0.048 0.000 0.909 388 Q CB 1.618 30.313 28.738 -0.072 0.000 1.253 388 Q HN 0.628 nan 8.270 nan 0.000 0.440 389 R N 3.363 123.939 120.500 0.127 0.000 2.549 389 R HA 0.263 4.603 4.340 -0.000 0.000 0.267 389 R C -1.722 174.629 176.300 0.083 0.000 1.045 389 R CA -1.765 54.390 56.100 0.092 0.000 1.115 389 R CB 0.389 30.742 30.300 0.089 0.000 1.121 389 R HN 0.494 nan 8.270 nan 0.000 0.543 390 P HA -0.175 nan 4.420 nan 0.000 0.220 390 P C 0.426 177.760 177.300 0.056 0.000 1.148 390 P CA 1.163 64.296 63.100 0.055 0.000 0.803 390 P CB 0.210 31.934 31.700 0.040 0.000 0.782 391 E N -0.868 119.364 120.200 0.054 0.000 2.489 391 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 391 E C -0.240 176.397 176.600 0.062 0.000 1.057 391 E CA 0.219 56.647 56.400 0.047 0.000 0.866 391 E CB -0.618 29.100 29.700 0.029 0.000 0.916 391 E HN 0.189 nan 8.360 nan 0.000 0.500 392 D N 1.538 121.997 120.400 0.099 0.000 2.382 392 D HA 0.261 4.901 4.640 -0.000 0.000 0.240 392 D C 0.064 176.452 176.300 0.146 0.000 1.146 392 D CA 0.054 54.141 54.000 0.145 0.000 0.897 392 D CB 1.061 42.026 40.800 0.276 0.000 1.197 392 D HN 0.111 nan 8.370 nan 0.000 0.432 393 I N 1.948 122.607 120.570 0.150 0.000 2.404 393 I HA 0.224 4.393 4.170 -0.000 0.000 0.293 393 I C -0.338 175.896 176.117 0.195 0.000 0.992 393 I CA -0.827 60.555 61.300 0.136 0.000 1.149 393 I CB 1.559 39.604 38.000 0.075 0.000 1.315 393 I HN 0.011 nan 8.210 nan 0.000 0.446 394 I N 7.045 127.723 120.570 0.180 0.000 2.336 394 I HA 0.408 4.578 4.170 -0.000 0.000 0.292 394 I C -0.037 176.172 176.117 0.154 0.000 0.991 394 I CA -0.608 60.807 61.300 0.192 0.000 1.227 394 I CB 1.405 39.512 38.000 0.178 0.000 1.366 394 I HN 0.147 nan 8.210 nan 0.000 0.466 395 V N 4.943 124.943 119.914 0.144 0.000 2.715 395 V HA 0.683 4.803 4.120 -0.000 0.000 0.310 395 V C 0.094 176.265 176.094 0.128 0.000 1.054 395 V CA -0.516 61.847 62.300 0.104 0.000 0.928 395 V CB 2.215 34.069 31.823 0.051 0.000 1.007 395 V HN 0.854 nan 8.190 nan 0.000 0.437 396 T N 1.174 115.800 114.554 0.121 0.000 2.896 396 T HA 0.393 4.742 4.350 -0.000 0.000 0.297 396 T C -0.958 173.800 174.700 0.097 0.000 1.108 396 T CA -0.421 61.766 62.100 0.145 0.000 1.004 396 T CB 2.006 70.947 68.868 0.121 0.000 1.159 396 T HN 0.839 nan 8.240 nan 0.000 0.499 397 D N 0.823 121.360 120.400 0.228 0.000 2.539 397 D HA 0.404 5.043 4.640 -0.000 0.000 0.280 397 D C -0.291 176.024 176.300 0.025 0.000 1.208 397 D CA -0.424 53.691 54.000 0.192 0.000 1.088 397 D CB 0.850 41.794 40.800 0.239 0.000 1.149 397 D HN 0.358 nan 8.370 nan 0.000 0.596 398 I N 0.327 120.900 120.570 0.005 0.000 2.354 398 I HA 0.568 4.738 4.170 -0.000 0.000 0.292 398 I C 0.964 177.033 176.117 -0.079 0.000 0.989 398 I CA -0.176 61.061 61.300 -0.106 0.000 1.188 398 I CB 0.267 38.272 38.000 0.009 0.000 1.342 398 I HN 0.559 nan 8.210 nan 0.000 0.457 399 G N 5.245 113.886 108.800 -0.265 0.000 2.345 399 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.285 399 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.285 399 G C 0.250 175.048 174.900 -0.170 0.000 1.297 399 G CA -0.574 44.483 45.100 -0.071 0.000 0.875 399 G HN 0.326 nan 8.290 nan 0.000 0.506 400 N N 0.318 119.030 118.700 0.020 0.000 2.094 400 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 400 N C 2.024 177.474 175.510 -0.099 0.000 1.023 400 N CA 2.014 55.060 53.050 -0.007 0.000 0.857 400 N CB -0.524 38.005 38.487 0.070 0.000 1.013 400 N HN 0.750 nan 8.380 nan 0.000 0.426 401 H N -1.053 117.980 119.070 -0.061 0.000 2.489 401 H HA 0.053 4.609 4.556 -0.000 0.000 0.293 401 H C 1.175 176.403 175.328 -0.166 0.000 1.066 401 H CA 1.340 57.315 56.048 -0.122 0.000 1.305 401 H CB -0.892 28.898 29.762 0.048 0.000 1.386 401 H HN 0.056 nan 8.280 nan 0.000 0.551 402 T N 2.131 116.306 114.554 -0.632 0.000 2.720 402 T HA -0.132 4.217 4.350 -0.000 0.000 0.268 402 T C 2.243 176.572 174.700 -0.618 0.000 1.037 402 T CA 1.271 62.961 62.100 -0.683 0.000 1.144 402 T CB -0.348 68.051 68.868 -0.783 0.000 0.864 402 T HN 0.296 nan 8.240 nan 0.000 0.444 403 L N 1.382 122.359 121.223 -0.410 0.000 1.994 403 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 403 L C -0.818 175.966 176.870 -0.143 0.000 1.071 403 L CA 1.442 56.155 54.840 -0.212 0.000 0.745 403 L CB -0.883 41.127 42.059 -0.082 0.000 0.892 403 L HN 0.167 nan 8.230 nan 0.000 0.431 404 P HA -0.128 nan 4.420 nan 0.000 0.221 404 P C 1.737 178.749 177.300 -0.480 0.000 1.150 404 P CA 1.219 63.791 63.100 -0.879 0.000 0.800 404 P CB -0.045 31.053 31.700 -1.002 0.000 0.787 405 M N -1.861 117.627 119.600 -0.188 0.000 2.099 405 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 405 M C 2.163 178.616 176.300 0.255 0.000 1.067 405 M CA 1.669 56.993 55.300 0.041 0.000 1.124 405 M CB -1.732 30.934 32.600 0.111 0.000 1.353 405 M HN 0.013 nan 8.290 nan 0.000 0.410 406 F N -0.209 119.771 119.950 0.049 0.000 2.134 406 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 406 F C 2.432 178.475 175.800 0.406 0.000 1.097 406 F CA 0.703 58.808 58.000 0.175 0.000 1.264 406 F CB -0.560 38.504 39.000 0.108 0.000 1.001 406 F HN 0.274 nan 8.300 nan 0.000 0.479 407 G N -0.580 108.534 108.800 0.523 0.000 2.464 407 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 407 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 407 G C 1.699 176.833 174.900 0.389 0.000 1.138 407 G CA 0.739 46.200 45.100 0.601 0.000 0.793 407 G HN 0.446 nan 8.290 nan 0.000 0.539 408 G N -0.099 108.831 108.800 0.215 0.000 2.986 408 G HA2 0.411 4.370 3.960 -0.000 0.000 0.213 408 G HA3 0.411 4.370 3.960 -0.000 0.000 0.213 408 G C 0.706 175.706 174.900 0.167 0.000 1.156 408 G CA 0.631 45.821 45.100 0.150 0.000 0.763 408 G HN 0.593 nan 8.290 nan 0.000 0.547 409 A N 0.877 123.854 122.820 0.261 0.000 2.395 409 A HA 0.626 4.946 4.320 -0.000 0.000 0.286 409 A C -0.320 177.496 177.584 0.386 0.000 1.193 409 A CA -0.127 52.069 52.037 0.266 0.000 0.852 409 A CB -0.167 18.988 19.000 0.259 0.000 1.118 409 A HN 0.259 nan 8.150 nan 0.000 0.524 410 I N 4.378 125.120 120.570 0.287 0.000 2.390 410 I HA 0.314 4.483 4.170 -0.000 0.000 0.283 410 I C -0.588 175.655 176.117 0.211 0.000 1.016 410 I CA -0.022 61.480 61.300 0.337 0.000 1.151 410 I CB 0.982 39.151 38.000 0.281 0.000 1.293 410 I HN 0.495 nan 8.210 nan 0.000 0.458 411 L N 5.594 126.929 121.223 0.187 0.000 2.319 411 L HA 0.505 4.845 4.340 -0.000 0.000 0.267 411 L C 0.577 177.491 176.870 0.074 0.000 1.011 411 L CA -0.555 54.351 54.840 0.111 0.000 0.818 411 L CB 1.994 44.106 42.059 0.088 0.000 1.316 411 L HN 0.523 nan 8.230 nan 0.000 0.432 412 Q N 0.825 120.657 119.800 0.052 0.000 2.157 412 Q HA 0.313 4.653 4.340 -0.000 0.000 0.235 412 Q C -0.301 175.708 176.000 0.015 0.000 0.803 412 Q CA 0.136 55.953 55.803 0.025 0.000 0.967 412 Q CB 2.001 30.756 28.738 0.028 0.000 1.150 412 Q HN 0.597 nan 8.270 nan 0.000 0.482 413 R N 0.412 120.927 120.500 0.026 0.000 2.836 413 R HA 0.524 4.863 4.340 -0.000 0.000 0.269 413 R C -2.732 173.580 176.300 0.021 0.000 1.010 413 R CA -1.844 54.268 56.100 0.020 0.000 0.930 413 R CB 1.364 31.678 30.300 0.022 0.000 1.218 413 R HN -0.143 nan 8.270 nan 0.000 0.473 414 P HA 0.169 nan 4.420 nan 0.000 0.276 414 P C -0.744 176.561 177.300 0.009 0.000 1.252 414 P CA -0.401 62.703 63.100 0.007 0.000 0.802 414 P CB 0.581 32.276 31.700 -0.008 0.000 1.035 415 R N 0.112 120.623 120.500 0.019 0.000 3.641 415 R HA -0.167 4.173 4.340 -0.000 0.000 0.286 415 R C 0.345 176.712 176.300 0.112 0.000 1.153 415 R CA 0.439 56.563 56.100 0.040 0.000 0.775 415 R CB -2.009 28.220 30.300 -0.119 0.000 1.215 415 R HN 0.532 nan 8.270 nan 0.000 0.474 416 R N -0.199 120.365 120.500 0.106 0.000 2.362 416 R HA 0.222 4.562 4.340 -0.000 0.000 0.227 416 R C 0.465 176.838 176.300 0.121 0.000 0.905 416 R CA -0.205 55.959 56.100 0.106 0.000 1.067 416 R CB 0.264 30.616 30.300 0.086 0.000 1.078 416 R HN 0.088 nan 8.270 nan 0.000 0.516 417 L N 0.725 122.025 121.223 0.128 0.000 2.343 417 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 417 L C -1.181 175.718 176.870 0.050 0.000 0.996 417 L CA -0.799 54.090 54.840 0.083 0.000 0.831 417 L CB 2.085 44.142 42.059 -0.004 0.000 1.232 417 L HN -0.272 nan 8.230 nan 0.000 0.413 418 V N 4.289 124.221 119.914 0.030 0.000 2.588 418 V HA 0.877 4.996 4.120 -0.000 0.000 0.304 418 V C -0.107 175.955 176.094 -0.054 0.000 1.042 418 V CA -0.250 61.993 62.300 -0.094 0.000 0.877 418 V CB 1.779 33.597 31.823 -0.008 0.000 0.996 418 V HN 0.881 nan 8.190 nan 0.000 0.425 419 T N 1.642 116.119 114.554 -0.129 0.000 2.658 419 T HA 0.239 4.588 4.350 -0.000 0.000 0.305 419 T C -0.699 173.948 174.700 -0.088 0.000 1.551 419 T CA -0.059 61.997 62.100 -0.074 0.000 0.985 419 T CB 1.797 70.682 68.868 0.029 0.000 1.731 419 T HN 0.678 nan 8.240 nan 0.000 0.486 420 S N 2.417 118.071 115.700 -0.077 0.000 3.900 420 S HA 0.174 4.644 4.470 -0.000 0.000 0.248 420 S C 1.749 176.393 174.600 0.074 0.000 1.310 420 S CA -0.536 57.685 58.200 0.035 0.000 0.915 420 S CB -0.797 62.404 63.200 0.000 0.000 1.588 420 S HN 0.506 nan 8.310 nan 0.000 0.472 421 M N 2.365 121.997 119.600 0.054 0.000 2.086 421 M HA -0.070 4.409 4.480 -0.000 0.000 0.261 421 M C 2.402 178.772 176.300 0.116 0.000 1.067 421 M CA 1.685 57.043 55.300 0.096 0.000 1.116 421 M CB -1.587 31.032 32.600 0.033 0.000 1.348 421 M HN 0.739 nan 8.290 nan 0.000 0.407 422 A N -0.655 122.214 122.820 0.082 0.000 1.970 422 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 422 A C 1.923 179.491 177.584 -0.025 0.000 1.170 422 A CA 1.199 53.263 52.037 0.045 0.000 0.645 422 A CB -0.104 18.924 19.000 0.046 0.000 0.816 422 A HN 0.438 nan 8.150 nan 0.000 0.447 423 E N -1.811 118.391 120.200 0.004 0.000 2.514 423 E HA 0.191 4.541 4.350 -0.000 0.000 0.215 423 E C 0.874 177.446 176.600 -0.046 0.000 0.946 423 E CA 0.575 56.941 56.400 -0.058 0.000 1.038 423 E CB 0.228 29.940 29.700 0.020 0.000 1.069 423 E HN 0.660 nan 8.360 nan 0.000 0.503 424 G N 2.861 111.697 108.800 0.061 0.000 2.338 424 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.296 424 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.296 424 G C 0.203 175.159 174.900 0.092 0.000 1.040 424 G CA 0.289 45.467 45.100 0.131 0.000 1.004 424 G HN 0.228 nan 8.290 nan 0.000 0.509 425 I N 0.334 120.958 120.570 0.090 0.000 2.322 425 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 425 I C 0.962 177.037 176.117 -0.071 0.000 1.060 425 I CA -1.046 60.315 61.300 0.101 0.000 1.309 425 I CB 0.904 39.106 38.000 0.337 0.000 1.415 425 I HN 0.155 nan 8.210 nan 0.000 0.492 426 L N 6.977 128.121 121.223 -0.131 0.000 2.525 426 L HA 0.236 4.576 4.340 -0.000 0.000 0.278 426 L C 1.160 177.600 176.870 -0.717 0.000 1.218 426 L CA 1.371 56.019 54.840 -0.320 0.000 0.878 426 L CB 0.311 42.217 42.059 -0.256 0.000 1.127 426 L HN 0.901 nan 8.230 nan 0.000 0.492 427 G N 2.021 110.494 108.800 -0.546 0.000 2.194 427 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.236 427 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.236 427 G C 1.155 175.890 174.900 -0.274 0.000 0.987 427 G CA 0.716 45.590 45.100 -0.377 0.000 0.635 427 G HN 1.277 nan 8.290 nan 0.000 0.520 428 C N 0.581 119.447 119.300 -0.724 0.000 2.403 428 C HA 0.274 4.733 4.460 -0.000 0.000 0.279 428 C C 3.011 177.633 174.990 -0.614 0.000 1.269 428 C CA 1.388 59.609 59.018 -1.328 0.000 1.774 428 C CB -1.475 25.354 27.740 -1.519 0.000 1.993 428 C HN 1.188 nan 8.230 nan 0.000 0.496 429 G N -0.122 108.509 108.800 -0.282 0.000 2.453 429 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 429 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 429 G C 1.331 176.204 174.900 -0.044 0.000 1.201 429 G CA 1.028 46.059 45.100 -0.115 0.000 0.784 429 G HN 0.526 nan 8.290 nan 0.000 0.545 430 F N 3.090 122.963 119.950 -0.130 0.000 2.069 430 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 430 F C 0.323 176.054 175.800 -0.115 0.000 1.113 430 F CA 1.635 59.557 58.000 -0.131 0.000 1.214 430 F CB -0.800 38.124 39.000 -0.127 0.000 0.978 430 F HN 0.139 nan 8.300 nan 0.000 0.474 431 P HA -0.174 nan 4.420 nan 0.000 0.219 431 P C 1.952 179.185 177.300 -0.111 0.000 1.150 431 P CA 1.825 64.817 63.100 -0.179 0.000 0.814 431 P CB -0.319 31.362 31.700 -0.032 0.000 0.787 432 M N -0.405 119.145 119.600 -0.084 0.000 2.159 432 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 432 M C 2.334 178.599 176.300 -0.058 0.000 1.063 432 M CA 1.949 57.242 55.300 -0.012 0.000 1.110 432 M CB -0.832 31.752 32.600 -0.027 0.000 1.374 432 M HN -0.073 nan 8.290 nan 0.000 0.411 433 A N 0.651 123.391 122.820 -0.133 0.000 1.902 433 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 433 A C 2.083 179.550 177.584 -0.196 0.000 1.181 433 A CA 1.292 53.242 52.037 -0.145 0.000 0.623 433 A CB -0.861 18.044 19.000 -0.159 0.000 0.818 433 A HN 0.451 nan 8.150 nan 0.000 0.443 434 L N -0.755 120.282 121.223 -0.310 0.000 2.046 434 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 434 L C 2.863 179.663 176.870 -0.117 0.000 1.077 434 L CA 1.167 55.842 54.840 -0.274 0.000 0.747 434 L CB -1.006 40.824 42.059 -0.382 0.000 0.896 434 L HN 0.489 nan 8.230 nan 0.000 0.432 435 G N -0.244 108.528 108.800 -0.046 0.000 2.446 435 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 435 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 435 G C 1.781 176.698 174.900 0.028 0.000 1.168 435 G CA 0.870 46.019 45.100 0.083 0.000 0.771 435 G HN 0.467 nan 8.290 nan 0.000 0.551 436 A N 0.210 123.017 122.820 -0.021 0.000 1.902 436 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 436 A C 2.315 179.828 177.584 -0.119 0.000 1.181 436 A CA 2.267 54.264 52.037 -0.068 0.000 0.623 436 A CB -0.460 18.532 19.000 -0.013 0.000 0.818 436 A HN 0.434 nan 8.150 nan 0.000 0.443 437 Q N -0.034 119.707 119.800 -0.099 0.000 2.084 437 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 437 Q C 1.798 177.743 176.000 -0.092 0.000 0.978 437 Q CA 1.634 57.379 55.803 -0.097 0.000 0.844 437 Q CB -0.535 28.144 28.738 -0.098 0.000 0.898 437 Q HN 0.645 nan 8.270 nan 0.000 0.426 438 L N -0.272 120.911 121.223 -0.066 0.000 2.042 438 L HA -0.172 4.167 4.340 -0.000 0.000 0.210 438 L C 2.370 179.173 176.870 -0.112 0.000 1.076 438 L CA 1.240 56.085 54.840 0.009 0.000 0.749 438 L CB -0.638 41.523 42.059 0.170 0.000 0.893 438 L HN 0.335 nan 8.230 nan 0.000 0.432 439 A N -1.346 121.161 122.820 -0.523 0.000 1.968 439 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 439 A C 1.210 178.577 177.584 -0.362 0.000 1.169 439 A CA 1.048 52.531 52.037 -0.924 0.000 0.638 439 A CB 0.034 18.284 19.000 -1.250 0.000 0.812 439 A HN 0.276 nan 8.150 nan 0.000 0.446 440 E N -0.423 119.640 120.200 -0.229 0.000 3.568 440 E HA 0.163 4.513 4.350 -0.000 0.000 0.213 440 E C -2.210 174.341 176.600 -0.082 0.000 1.197 440 E CA -1.503 54.821 56.400 -0.126 0.000 1.126 440 E CB 0.841 30.479 29.700 -0.104 0.000 1.285 440 E HN 0.399 nan 8.360 nan 0.000 0.418 441 P HA -0.073 nan 4.420 nan 0.000 0.230 441 P C 0.803 178.085 177.300 -0.029 0.000 1.158 441 P CA 0.714 63.791 63.100 -0.038 0.000 0.769 441 P CB 0.414 32.103 31.700 -0.018 0.000 0.807 442 N N -0.478 118.207 118.700 -0.026 0.000 2.314 442 N HA 0.041 4.781 4.740 -0.000 0.000 0.200 442 N C -0.448 175.053 175.510 -0.014 0.000 1.135 442 N CA 0.053 53.094 53.050 -0.015 0.000 0.835 442 N CB -0.053 38.430 38.487 -0.006 0.000 0.989 442 N HN -0.107 nan 8.380 nan 0.000 0.478 443 S N -0.024 115.660 115.700 -0.026 0.000 2.475 443 S HA 0.336 4.805 4.470 -0.000 0.000 0.298 443 S C -0.114 174.454 174.600 -0.053 0.000 1.119 443 S CA -0.740 57.448 58.200 -0.019 0.000 1.085 443 S CB 2.056 65.246 63.200 -0.016 0.000 1.028 443 S HN 0.244 nan 8.310 nan 0.000 0.489 444 R N 2.066 122.529 120.500 -0.060 0.000 2.438 444 R HA 0.421 4.761 4.340 -0.000 0.000 0.287 444 R C -1.295 174.861 176.300 -0.241 0.000 1.077 444 R CA -0.130 55.851 56.100 -0.199 0.000 1.034 444 R CB 0.319 30.464 30.300 -0.258 0.000 0.993 444 R HN 0.439 nan 8.270 nan 0.000 0.459 445 V N 6.292 126.003 119.914 -0.339 0.000 2.378 445 V HA 0.370 4.490 4.120 -0.000 0.000 0.288 445 V C -0.899 175.012 176.094 -0.305 0.000 1.016 445 V CA -0.548 61.637 62.300 -0.192 0.000 0.840 445 V CB 1.099 32.851 31.823 -0.120 0.000 0.994 445 V HN 0.600 nan 8.190 nan 0.000 0.431 446 F N 5.494 125.458 119.950 0.023 0.000 2.411 446 F HA 0.629 5.156 4.527 -0.000 0.000 0.352 446 F C -0.203 175.611 175.800 0.024 0.000 1.123 446 F CA -0.696 57.319 58.000 0.025 0.000 1.044 446 F CB 1.691 40.714 39.000 0.038 0.000 1.135 446 F HN 0.332 nan 8.300 nan 0.000 0.461 447 L N 3.563 124.875 121.223 0.148 0.000 2.296 447 L HA 0.808 5.148 4.340 -0.000 0.000 0.286 447 L C -0.130 176.742 176.870 0.003 0.000 1.023 447 L CA -0.296 54.591 54.840 0.078 0.000 0.812 447 L CB 1.352 43.442 42.059 0.050 0.000 1.223 447 L HN 0.611 nan 8.230 nan 0.000 0.421 448 G N 2.707 111.526 108.800 0.030 0.000 2.468 448 G HA2 0.491 4.451 3.960 -0.000 0.000 0.320 448 G HA3 0.491 4.451 3.960 -0.000 0.000 0.320 448 G C -0.727 174.142 174.900 -0.051 0.000 1.137 448 G CA -0.262 44.792 45.100 -0.078 0.000 0.984 448 G HN 0.649 nan 8.290 nan 0.000 0.462 449 T N 1.411 115.730 114.554 -0.393 0.000 2.841 449 T HA 0.661 5.010 4.350 -0.000 0.000 0.283 449 T C 0.914 175.239 174.700 -0.625 0.000 1.000 449 T CA 0.111 61.971 62.100 -0.399 0.000 0.977 449 T CB 1.128 69.844 68.868 -0.253 0.000 0.979 449 T HN 0.674 nan 8.240 nan 0.000 0.446 450 G N 2.407 110.620 108.800 -0.979 0.000 2.664 450 G HA2 0.165 4.125 3.960 -0.000 0.000 0.242 450 G HA3 0.165 4.125 3.960 -0.000 0.000 0.242 450 G C 0.822 175.649 174.900 -0.123 0.000 1.225 450 G CA 0.030 44.894 45.100 -0.393 0.000 0.849 450 G HN 0.862 nan 8.290 nan 0.000 0.581 451 D N -0.137 120.302 120.400 0.066 0.000 2.123 451 D HA -0.066 4.574 4.640 -0.000 0.000 0.200 451 D C 2.290 178.844 176.300 0.422 0.000 0.976 451 D CA 1.270 55.393 54.000 0.204 0.000 0.831 451 D CB -1.042 39.989 40.800 0.384 0.000 0.974 451 D HN 0.488 nan 8.370 nan 0.000 0.469 452 G N 0.646 109.742 108.800 0.494 0.000 2.442 452 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 452 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 452 G C 1.763 176.981 174.900 0.530 0.000 1.141 452 G CA 1.530 46.878 45.100 0.413 0.000 0.763 452 G HN 0.525 nan 8.290 nan 0.000 0.554 453 A N 0.384 123.439 122.820 0.391 0.000 1.873 453 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 453 A C 2.322 180.072 177.584 0.277 0.000 1.186 453 A CA 1.556 53.759 52.037 0.276 0.000 0.616 453 A CB -0.465 18.628 19.000 0.154 0.000 0.823 453 A HN 0.417 nan 8.150 nan 0.000 0.442 454 L N -1.485 119.810 121.223 0.121 0.000 2.131 454 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 454 L C 2.148 179.193 176.870 0.293 0.000 1.092 454 L CA 1.649 56.482 54.840 -0.012 0.000 0.759 454 L CB -0.913 40.840 42.059 -0.511 0.000 0.903 454 L HN 0.494 nan 8.230 nan 0.000 0.435 455 Y N -1.663 118.866 120.300 0.381 0.000 2.228 455 Y HA -0.380 4.170 4.550 -0.001 0.000 0.285 455 Y C 2.208 178.336 175.900 0.381 0.000 1.178 455 Y CA 2.151 60.551 58.100 0.501 0.000 1.202 455 Y CB -0.345 38.241 38.460 0.210 0.000 0.974 455 Y HN 0.229 nan 8.280 nan 0.000 0.527 456 Y N -1.455 118.988 120.300 0.240 0.000 2.089 456 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 456 Y C 1.899 177.603 175.900 -0.327 0.000 1.139 456 Y CA 1.878 59.901 58.100 -0.127 0.000 1.123 456 Y CB -0.408 37.876 38.460 -0.293 0.000 0.980 456 Y HN 0.143 nan 8.280 nan 0.000 0.493 457 H N -1.338 117.950 119.070 0.362 0.000 2.575 457 H HA 0.125 4.681 4.556 -0.001 0.000 0.256 457 H C 1.158 176.616 175.328 0.216 0.000 1.162 457 H CA -0.223 55.975 56.048 0.250 0.000 0.969 457 H CB -0.578 29.361 29.762 0.295 0.000 1.796 457 H HN 0.431 nan 8.280 nan 0.000 0.607 458 F N 1.975 122.016 119.950 0.151 0.000 2.451 458 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 458 F C 1.772 177.637 175.800 0.109 0.000 1.101 458 F CA 0.593 58.578 58.000 -0.026 0.000 1.436 458 F CB -0.310 38.727 39.000 0.061 0.000 1.074 458 F HN -0.033 nan 8.300 nan 0.000 0.553 459 N N 0.726 119.196 118.700 -0.384 0.000 2.258 459 N HA -0.249 4.491 4.740 -0.000 0.000 0.187 459 N C 0.977 176.510 175.510 0.038 0.000 1.012 459 N CA 1.655 54.625 53.050 -0.133 0.000 0.870 459 N CB -1.061 37.380 38.487 -0.077 0.000 0.977 459 N HN 0.456 nan 8.380 nan 0.000 0.434 460 E N -0.388 119.895 120.200 0.139 0.000 2.516 460 E HA -0.024 4.326 4.350 -0.000 0.000 0.199 460 E C 0.921 177.601 176.600 0.133 0.000 1.069 460 E CA -0.029 56.472 56.400 0.168 0.000 0.876 460 E CB -0.558 29.245 29.700 0.172 0.000 0.843 460 E HN 0.485 nan 8.360 nan 0.000 0.530 461 F N 1.169 121.106 119.950 -0.022 0.000 2.307 461 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 461 F C 2.584 178.295 175.800 -0.147 0.000 1.076 461 F CA 0.994 58.878 58.000 -0.194 0.000 1.383 461 F CB -0.002 38.520 39.000 -0.795 0.000 1.055 461 F HN 0.011 nan 8.300 nan 0.000 0.526 462 R N 0.072 120.617 120.500 0.074 0.000 2.091 462 R HA -0.166 4.173 4.340 -0.000 0.000 0.238 462 R C 2.047 178.480 176.300 0.222 0.000 1.136 462 R CA 1.732 58.003 56.100 0.285 0.000 0.959 462 R CB -0.480 29.998 30.300 0.296 0.000 0.856 462 R HN 0.170 nan 8.270 nan 0.000 0.437 463 V N 0.703 120.719 119.914 0.170 0.000 2.307 463 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 463 V C 2.453 178.655 176.094 0.180 0.000 1.045 463 V CA 1.827 64.237 62.300 0.184 0.000 1.024 463 V CB -0.644 31.214 31.823 0.059 0.000 0.651 463 V HN 0.542 nan 8.190 nan 0.000 0.449 464 A N -0.278 122.599 122.820 0.095 0.000 1.908 464 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 464 A C 2.381 180.068 177.584 0.172 0.000 1.181 464 A CA 2.250 54.338 52.037 0.085 0.000 0.627 464 A CB -0.650 18.378 19.000 0.046 0.000 0.818 464 A HN 0.340 nan 8.150 nan 0.000 0.445 465 V N -0.457 119.593 119.914 0.227 0.000 2.323 465 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 465 V C 2.484 178.659 176.094 0.135 0.000 1.041 465 V CA 2.136 64.561 62.300 0.208 0.000 1.025 465 V CB -0.635 31.347 31.823 0.265 0.000 0.656 465 V HN 0.726 nan 8.190 nan 0.000 0.451 466 E N -0.752 119.521 120.200 0.122 0.000 2.110 466 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 466 E C 1.889 178.407 176.600 -0.137 0.000 0.988 466 E CA 1.083 57.477 56.400 -0.011 0.000 0.804 466 E CB -0.009 29.667 29.700 -0.040 0.000 0.745 466 E HN 0.692 nan 8.360 nan 0.000 0.458 467 H N -0.083 119.008 119.070 0.037 0.000 2.526 467 H HA 0.141 4.696 4.556 -0.000 0.000 0.274 467 H C -0.088 175.250 175.328 0.018 0.000 0.999 467 H CA 0.327 56.385 56.048 0.017 0.000 1.157 467 H CB 0.379 30.142 29.762 0.002 0.000 1.407 467 H HN 0.071 nan 8.280 nan 0.000 0.568 468 K N 0.855 121.316 120.400 0.103 0.000 3.150 468 K HA -0.159 4.161 4.320 -0.000 0.000 0.267 468 K C -0.683 175.955 176.600 0.064 0.000 1.028 468 K CA 0.090 56.421 56.287 0.074 0.000 0.753 468 K CB -1.644 30.883 32.500 0.045 0.000 1.288 468 K HN 0.280 nan 8.250 nan 0.000 0.473 469 L N 1.690 122.952 121.223 0.066 0.000 2.288 469 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 469 L C -1.387 175.487 176.870 0.007 0.000 1.072 469 L CA -1.766 53.084 54.840 0.016 0.000 0.862 469 L CB 0.359 42.407 42.059 -0.019 0.000 1.245 469 L HN -0.043 nan 8.230 nan 0.000 0.432 470 P HA 0.060 nan 4.420 nan 0.000 0.226 470 P C 0.130 177.398 177.300 -0.052 0.000 1.758 470 P CA -0.103 62.993 63.100 -0.007 0.000 0.896 470 P CB 0.117 31.804 31.700 -0.022 0.000 1.784 471 V N 2.427 122.312 119.914 -0.049 0.000 2.599 471 V HA -0.037 4.082 4.120 -0.000 0.000 0.300 471 V C 1.125 177.207 176.094 -0.019 0.000 1.034 471 V CA 0.476 62.729 62.300 -0.078 0.000 1.115 471 V CB 0.264 32.029 31.823 -0.097 0.000 0.934 471 V HN 0.216 nan 8.190 nan 0.000 0.485 472 I N 4.636 125.152 120.570 -0.091 0.000 2.306 472 I HA 0.256 4.425 4.170 -0.000 0.000 0.288 472 I C 0.448 176.600 176.117 0.058 0.000 1.036 472 I CA 0.164 61.458 61.300 -0.009 0.000 1.221 472 I CB 0.739 38.693 38.000 -0.077 0.000 1.385 472 I HN 0.555 nan 8.210 nan 0.000 0.472 473 T N 7.798 122.403 114.554 0.086 0.000 2.749 473 T HA 0.494 4.844 4.350 -0.000 0.000 0.287 473 T C 0.378 175.029 174.700 -0.081 0.000 0.970 473 T CA -0.435 61.678 62.100 0.022 0.000 0.980 473 T CB 0.884 69.789 68.868 0.061 0.000 0.924 473 T HN 0.335 nan 8.240 nan 0.000 0.456 474 M N 3.510 122.986 119.600 -0.206 0.000 2.063 474 M HA 0.339 4.819 4.480 -0.000 0.000 0.348 474 M C -0.144 175.728 176.300 -0.713 0.000 1.180 474 M CA -0.693 54.365 55.300 -0.404 0.000 1.059 474 M CB 1.286 33.610 32.600 -0.461 0.000 1.544 474 M HN 0.283 nan 8.290 nan 0.000 0.447 475 V N 5.967 125.538 119.914 -0.572 0.000 2.364 475 V HA 0.377 4.496 4.120 -0.000 0.000 0.272 475 V C -0.887 174.938 176.094 -0.447 0.000 1.036 475 V CA -0.261 61.668 62.300 -0.620 0.000 0.880 475 V CB 0.180 31.542 31.823 -0.769 0.000 0.991 475 V HN 0.640 nan 8.190 nan 0.000 0.460 476 F N 5.440 125.266 119.950 -0.207 0.000 2.413 476 F HA 0.351 4.878 4.527 -0.000 0.000 0.359 476 F C 1.114 176.856 175.800 -0.096 0.000 1.122 476 F CA -0.576 57.344 58.000 -0.133 0.000 1.160 476 F CB 1.211 40.132 39.000 -0.132 0.000 1.146 476 F HN 0.567 nan 8.300 nan 0.000 0.514 477 T N -0.344 114.279 114.554 0.116 0.000 2.767 477 T HA 0.291 4.641 4.350 -0.000 0.000 0.288 477 T C 0.249 174.975 174.700 0.044 0.000 0.963 477 T CA -0.810 61.344 62.100 0.090 0.000 1.019 477 T CB 1.098 70.033 68.868 0.111 0.000 0.923 477 T HN 0.627 nan 8.240 nan 0.000 0.468 478 N N 0.759 119.462 118.700 0.004 0.000 2.143 478 N HA 0.116 4.856 4.740 -0.000 0.000 0.229 478 N C -0.272 175.123 175.510 -0.192 0.000 1.294 478 N CA -0.450 52.549 53.050 -0.085 0.000 0.883 478 N CB -0.081 38.353 38.487 -0.088 0.000 1.148 478 N HN 0.655 nan 8.380 nan 0.000 0.511 479 E N -0.607 119.449 120.200 -0.241 0.000 2.440 479 E HA -0.194 4.156 4.350 -0.000 0.000 0.246 479 E C -1.017 175.019 176.600 -0.940 0.000 1.165 479 E CA 1.077 57.157 56.400 -0.534 0.000 0.726 479 E CB -1.910 27.619 29.700 -0.285 0.000 1.271 479 E HN 0.477 nan 8.360 nan 0.000 0.397 480 S N -1.280 113.862 115.700 -0.928 0.000 2.552 480 S HA 0.471 4.941 4.470 -0.000 0.000 0.272 480 S C -1.412 173.115 174.600 -0.122 0.000 1.150 480 S CA -0.859 57.002 58.200 -0.565 0.000 0.849 480 S CB 0.661 63.743 63.200 -0.197 0.000 1.113 480 S HN 0.205 nan 8.310 nan 0.000 0.458 481 Y N 2.789 123.301 120.300 0.353 0.000 2.530 481 Y HA 0.226 4.776 4.550 -0.000 0.000 0.340 481 Y C 1.809 177.890 175.900 0.302 0.000 1.247 481 Y CA 0.014 58.350 58.100 0.394 0.000 1.727 481 Y CB 0.059 38.767 38.460 0.414 0.000 1.613 481 Y HN 0.900 nan 8.280 nan 0.000 0.464 482 G N 1.374 110.381 108.800 0.345 0.000 2.422 482 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.218 482 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.218 482 G C 1.796 176.877 174.900 0.301 0.000 1.146 482 G CA 0.871 46.131 45.100 0.266 0.000 0.769 482 G HN 0.671 nan 8.290 nan 0.000 0.547 483 A N 1.469 124.449 122.820 0.267 0.000 1.917 483 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 483 A C 2.262 179.982 177.584 0.226 0.000 1.182 483 A CA 1.887 54.049 52.037 0.208 0.000 0.633 483 A CB -0.438 18.655 19.000 0.156 0.000 0.819 483 A HN 0.417 nan 8.150 nan 0.000 0.448 484 N N -1.984 116.882 118.700 0.276 0.000 2.250 484 N HA -0.156 4.584 4.740 -0.000 0.000 0.181 484 N C 1.603 177.264 175.510 0.251 0.000 1.017 484 N CA 1.270 54.463 53.050 0.238 0.000 0.866 484 N CB -0.402 38.237 38.487 0.252 0.000 0.985 484 N HN 0.780 nan 8.380 nan 0.000 0.429 485 W N 2.614 124.015 121.300 0.169 0.000 2.318 485 W HA -0.211 4.449 4.660 -0.000 0.000 0.313 485 W C 2.116 178.698 176.519 0.105 0.000 1.221 485 W CA 1.985 59.409 57.345 0.132 0.000 1.266 485 W CB -0.412 29.111 29.460 0.106 0.000 1.150 485 W HN -0.068 nan 8.180 nan 0.000 0.496 486 T N 1.136 115.989 114.554 0.500 0.000 2.770 486 T HA -0.167 4.183 4.350 -0.000 0.000 0.263 486 T C 1.896 176.679 174.700 0.139 0.000 1.039 486 T CA 1.687 64.026 62.100 0.398 0.000 1.142 486 T CB -0.704 68.371 68.868 0.345 0.000 0.868 486 T HN 0.110 nan 8.240 nan 0.000 0.435 487 L N 0.401 121.685 121.223 0.101 0.000 2.012 487 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 487 L C 2.733 179.585 176.870 -0.030 0.000 1.073 487 L CA 1.429 56.288 54.840 0.031 0.000 0.748 487 L CB -0.560 41.511 42.059 0.020 0.000 0.891 487 L HN 0.293 nan 8.230 nan 0.000 0.431 488 M N -0.849 118.724 119.600 -0.045 0.000 2.159 488 M HA -0.206 4.273 4.480 -0.000 0.000 0.263 488 M C 2.122 178.339 176.300 -0.139 0.000 1.063 488 M CA 1.481 56.741 55.300 -0.066 0.000 1.110 488 M CB -0.579 32.038 32.600 0.028 0.000 1.374 488 M HN 0.343 nan 8.290 nan 0.000 0.411 489 N N -0.042 118.504 118.700 -0.256 0.000 2.142 489 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 489 N C 1.697 177.133 175.510 -0.124 0.000 1.023 489 N CA 1.539 54.413 53.050 -0.294 0.000 0.852 489 N CB -0.109 38.072 38.487 -0.509 0.000 0.998 489 N HN 0.416 nan 8.380 nan 0.000 0.424 490 H N 0.811 119.799 119.070 -0.137 0.000 2.321 490 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 490 H C 2.329 177.554 175.328 -0.171 0.000 1.087 490 H CA 2.325 58.307 56.048 -0.111 0.000 1.319 490 H CB -0.125 29.589 29.762 -0.079 0.000 1.379 490 H HN 0.315 nan 8.280 nan 0.000 0.501 491 Q N -1.274 118.370 119.800 -0.261 0.000 2.049 491 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 491 Q C 0.777 176.445 176.000 -0.554 0.000 0.971 491 Q CA 1.649 57.147 55.803 -0.508 0.000 0.833 491 Q CB 0.160 28.422 28.738 -0.793 0.000 0.896 491 Q HN 0.501 nan 8.270 nan 0.000 0.434 492 F N -1.971 117.903 119.950 -0.126 0.000 2.746 492 F HA 0.409 4.935 4.527 -0.001 0.000 0.313 492 F C 1.299 177.022 175.800 -0.128 0.000 1.095 492 F CA 0.352 58.278 58.000 -0.122 0.000 1.224 492 F CB 0.901 39.827 39.000 -0.123 0.000 1.060 492 F HN 0.207 nan 8.300 nan 0.000 0.584 493 G N 0.918 109.712 108.800 -0.009 0.000 2.148 493 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.254 493 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.254 493 G C 0.158 175.016 174.900 -0.071 0.000 0.981 493 G CA 0.510 45.578 45.100 -0.053 0.000 0.670 493 G HN 0.465 nan 8.290 nan 0.000 0.528 494 Q N -0.000 119.762 119.800 -0.063 0.000 2.352 494 Q HA 0.401 4.741 4.340 -0.000 0.000 0.270 494 Q C -0.827 175.091 176.000 -0.136 0.000 1.006 494 Q CA -0.831 54.907 55.803 -0.109 0.000 0.880 494 Q CB 1.147 29.846 28.738 -0.065 0.000 1.392 494 Q HN 0.410 nan 8.270 nan 0.000 0.401 495 N N 2.441 120.994 118.700 -0.245 0.000 2.489 495 N HA 0.472 5.212 4.740 -0.000 0.000 0.284 495 N C -1.086 174.391 175.510 -0.056 0.000 1.158 495 N CA -0.420 52.510 53.050 -0.201 0.000 0.965 495 N CB 1.280 39.519 38.487 -0.414 0.000 1.195 495 N HN 0.555 nan 8.380 nan 0.000 0.506 496 N N -0.054 118.645 118.700 -0.002 0.000 2.371 496 N HA 0.175 4.915 4.740 -0.000 0.000 0.280 496 N C -0.820 174.830 175.510 0.233 0.000 1.084 496 N CA -0.166 52.920 53.050 0.060 0.000 0.892 496 N CB 1.082 39.485 38.487 -0.140 0.000 1.653 496 N HN 0.698 nan 8.380 nan 0.000 0.480 497 W N -0.559 120.817 121.300 0.127 0.000 2.829 497 W HA -0.212 4.448 4.660 -0.000 0.000 0.293 497 W C 1.415 178.124 176.519 0.317 0.000 1.133 497 W CA 0.987 58.439 57.345 0.178 0.000 0.572 497 W CB -2.708 26.830 29.460 0.130 0.000 2.175 497 W HN 0.685 nan 8.180 nan 0.000 1.311 498 T N -3.860 111.006 114.554 0.520 0.000 3.015 498 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 498 T C 0.569 175.513 174.700 0.406 0.000 1.057 498 T CA 0.460 62.906 62.100 0.576 0.000 1.066 498 T CB 0.731 69.891 68.868 0.486 0.000 0.959 498 T HN -0.072 nan 8.240 nan 0.000 0.488 499 E N 1.736 122.100 120.200 0.273 0.000 2.204 499 E HA 0.628 4.977 4.350 -0.000 0.000 0.276 499 E C -0.771 175.861 176.600 0.053 0.000 0.974 499 E CA -0.737 55.681 56.400 0.030 0.000 0.815 499 E CB 1.596 31.346 29.700 0.084 0.000 1.119 499 E HN 0.588 nan 8.360 nan 0.000 0.393 500 F N -1.527 118.408 119.950 -0.026 0.000 2.741 500 F HA 0.487 5.014 4.527 -0.001 0.000 0.313 500 F C -0.561 175.228 175.800 -0.017 0.000 1.153 500 F CA -1.610 56.359 58.000 -0.052 0.000 0.931 500 F CB 0.693 39.601 39.000 -0.153 0.000 1.335 500 F HN 0.316 nan 8.300 nan 0.000 0.460 501 M N 1.924 121.685 119.600 0.267 0.000 2.274 501 M HA 0.550 5.030 4.480 -0.000 0.000 0.344 501 M C -1.283 175.246 176.300 0.381 0.000 1.161 501 M CA -0.147 55.274 55.300 0.201 0.000 1.126 501 M CB 1.074 33.739 32.600 0.109 0.000 1.522 501 M HN 0.559 nan 8.290 nan 0.000 0.461 502 N N 2.902 121.737 118.700 0.224 0.000 2.456 502 N HA 0.596 5.336 4.740 -0.000 0.000 0.296 502 N C -2.549 172.836 175.510 -0.208 0.000 1.102 502 N CA -1.137 51.979 53.050 0.110 0.000 0.924 502 N CB 1.335 39.907 38.487 0.142 0.000 1.186 502 N HN 0.574 nan 8.380 nan 0.000 0.492 503 P HA 0.031 nan 4.420 nan 0.000 0.274 503 P C -0.541 176.390 177.300 -0.615 0.000 1.260 503 P CA -0.237 62.483 63.100 -0.633 0.000 0.793 503 P CB 0.563 31.724 31.700 -0.899 0.000 1.048 504 D N -0.165 120.003 120.400 -0.387 0.000 2.357 504 D HA -0.013 4.627 4.640 -0.000 0.000 0.265 504 D C 0.699 176.827 176.300 -0.286 0.000 1.334 504 D CA 0.083 53.929 54.000 -0.256 0.000 0.984 504 D CB -0.585 40.120 40.800 -0.158 0.000 1.077 504 D HN 0.263 nan 8.370 nan 0.000 0.514 505 W N 2.649 123.835 121.300 -0.190 0.000 2.374 505 W HA -0.141 4.519 4.660 -0.000 0.000 0.288 505 W C 2.223 178.606 176.519 -0.227 0.000 1.218 505 W CA 0.030 57.223 57.345 -0.252 0.000 1.245 505 W CB -0.039 29.271 29.460 -0.249 0.000 1.126 505 W HN 0.297 nan 8.180 nan 0.000 0.545 506 V N 0.434 120.364 119.914 0.027 0.000 2.343 506 V HA -0.238 3.881 4.120 -0.000 0.000 0.247 506 V C 2.425 178.463 176.094 -0.094 0.000 1.051 506 V CA 2.083 64.346 62.300 -0.062 0.000 1.036 506 V CB -1.563 30.215 31.823 -0.076 0.000 0.654 506 V HN 0.363 nan 8.190 nan 0.000 0.451 507 G N 0.230 108.974 108.800 -0.095 0.000 2.440 507 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 507 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 507 G C 1.488 176.331 174.900 -0.095 0.000 1.154 507 G CA 0.946 45.985 45.100 -0.101 0.000 0.767 507 G HN 0.368 nan 8.290 nan 0.000 0.552 508 I N 1.930 122.438 120.570 -0.103 0.000 2.127 508 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 508 I C 3.305 179.428 176.117 0.009 0.000 1.075 508 I CA 1.413 62.695 61.300 -0.030 0.000 1.334 508 I CB -1.411 36.536 38.000 -0.088 0.000 1.040 508 I HN 0.277 nan 8.210 nan 0.000 0.405 509 A N 0.915 123.657 122.820 -0.130 0.000 1.883 509 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 509 A C 2.366 179.888 177.584 -0.103 0.000 1.186 509 A CA 1.920 53.797 52.037 -0.266 0.000 0.624 509 A CB -0.632 18.192 19.000 -0.293 0.000 0.822 509 A HN 0.387 nan 8.150 nan 0.000 0.444 510 K N -0.403 119.941 120.400 -0.093 0.000 2.103 510 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 510 K C 2.175 178.750 176.600 -0.042 0.000 1.048 510 K CA 1.124 57.372 56.287 -0.066 0.000 0.930 510 K CB -0.330 32.120 32.500 -0.084 0.000 0.716 510 K HN 0.461 nan 8.250 nan 0.000 0.444 511 A N 0.224 123.006 122.820 -0.063 0.000 2.067 511 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 511 A C 1.642 179.106 177.584 -0.200 0.000 1.158 511 A CA 1.087 53.043 52.037 -0.135 0.000 0.661 511 A CB -0.438 18.452 19.000 -0.184 0.000 0.801 511 A HN 0.229 nan 8.150 nan 0.000 0.452 512 F N -1.124 118.808 119.950 -0.030 0.000 2.754 512 F HA 0.315 4.842 4.527 -0.000 0.000 0.297 512 F C 1.856 177.677 175.800 0.036 0.000 1.122 512 F CA 0.807 58.821 58.000 0.023 0.000 1.400 512 F CB 0.362 39.386 39.000 0.040 0.000 1.117 512 F HN 0.364 nan 8.300 nan 0.000 0.587 513 G N 0.696 109.583 108.800 0.145 0.000 2.136 513 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.242 513 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.242 513 G C 0.275 175.255 174.900 0.133 0.000 0.989 513 G CA -0.064 45.106 45.100 0.116 0.000 0.682 513 G HN 0.607 nan 8.290 nan 0.000 0.522 514 A N -0.708 122.182 122.820 0.117 0.000 2.287 514 A HA 0.684 5.003 4.320 -0.000 0.000 0.273 514 A C 0.055 177.687 177.584 0.080 0.000 1.091 514 A CA -0.340 51.767 52.037 0.116 0.000 0.817 514 A CB 0.549 19.560 19.000 0.019 0.000 1.069 514 A HN 1.335 nan 8.150 nan 0.000 0.492 515 Y N 0.569 120.896 120.300 0.045 0.000 2.442 515 Y HA 0.435 4.984 4.550 -0.000 0.000 0.330 515 Y C 0.678 176.580 175.900 0.003 0.000 1.129 515 Y CA 0.898 59.014 58.100 0.026 0.000 1.365 515 Y CB 0.509 38.992 38.460 0.039 0.000 1.233 515 Y HN 0.700 nan 8.280 nan 0.000 0.529 516 G N 5.136 113.482 108.800 -0.758 0.000 2.591 516 G HA2 0.510 4.470 3.960 -0.000 0.000 0.306 516 G HA3 0.510 4.470 3.960 -0.000 0.000 0.306 516 G C -1.975 172.568 174.900 -0.595 0.000 1.334 516 G CA -0.767 44.038 45.100 -0.491 0.000 0.981 516 G HN 0.662 nan 8.290 nan 0.000 0.491 517 E N 0.383 120.423 120.200 -0.268 0.000 2.363 517 E HA 0.506 4.856 4.350 -0.000 0.000 0.281 517 E C -1.405 175.174 176.600 -0.035 0.000 0.953 517 E CA -0.627 55.698 56.400 -0.126 0.000 0.778 517 E CB 2.141 31.854 29.700 0.022 0.000 1.220 517 E HN 0.482 nan 8.360 nan 0.000 0.431 518 S N 2.114 117.802 115.700 -0.020 0.000 2.475 518 S HA 0.358 4.828 4.470 -0.000 0.000 0.298 518 S C 0.382 174.991 174.600 0.015 0.000 1.119 518 S CA -0.406 57.796 58.200 0.002 0.000 1.085 518 S CB 1.412 64.613 63.200 0.001 0.000 1.028 518 S HN 0.575 nan 8.310 nan 0.000 0.489 519 V N 4.247 124.175 119.914 0.024 0.000 3.444 519 V HA 0.402 4.521 4.120 -0.000 0.000 0.308 519 V C 1.832 177.937 176.094 0.019 0.000 1.371 519 V CA 0.260 62.576 62.300 0.026 0.000 1.141 519 V CB -0.749 31.095 31.823 0.035 0.000 1.037 519 V HN 0.899 nan 8.190 nan 0.000 0.433 520 R N 0.880 121.390 120.500 0.016 0.000 2.117 520 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 520 R C 2.043 178.346 176.300 0.004 0.000 1.143 520 R CA 2.300 58.406 56.100 0.010 0.000 0.968 520 R CB 0.111 30.416 30.300 0.009 0.000 0.863 520 R HN 0.612 nan 8.270 nan 0.000 0.444 521 E N -1.141 119.061 120.200 0.003 0.000 2.216 521 E HA -0.036 4.313 4.350 -0.000 0.000 0.192 521 E C 1.857 178.459 176.600 0.003 0.000 0.973 521 E CA 1.510 57.910 56.400 0.001 0.000 0.851 521 E CB 0.325 30.025 29.700 -0.001 0.000 0.804 521 E HN 0.538 nan 8.360 nan 0.000 0.477 522 T N -2.931 111.628 114.554 0.007 0.000 3.040 522 T HA 0.232 4.582 4.350 -0.000 0.000 0.252 522 T C 1.685 176.390 174.700 0.009 0.000 1.064 522 T CA 0.849 62.955 62.100 0.009 0.000 1.110 522 T CB 0.254 69.131 68.868 0.015 0.000 0.921 522 T HN 0.201 nan 8.240 nan 0.000 0.480 523 G N 1.779 110.586 108.800 0.011 0.000 2.175 523 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.265 523 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.265 523 G C 0.053 174.962 174.900 0.016 0.000 0.979 523 G CA 0.384 45.490 45.100 0.011 0.000 0.663 523 G HN 0.692 nan 8.290 nan 0.000 0.533 524 D N 0.338 120.751 120.400 0.022 0.000 2.741 524 D HA 0.420 5.060 4.640 -0.000 0.000 0.233 524 D C 1.881 178.203 176.300 0.037 0.000 1.160 524 D CA -0.515 53.501 54.000 0.026 0.000 1.003 524 D CB -0.614 40.203 40.800 0.028 0.000 1.064 524 D HN 0.370 nan 8.370 nan 0.000 0.503 525 I N 0.844 121.435 120.570 0.035 0.000 2.226 525 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 525 I C 2.352 178.495 176.117 0.044 0.000 1.100 525 I CA 0.980 62.307 61.300 0.046 0.000 1.374 525 I CB -0.159 37.868 38.000 0.046 0.000 1.057 525 I HN 0.294 nan 8.210 nan 0.000 0.413 526 A N 1.074 123.912 122.820 0.030 0.000 1.877 526 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 526 A C 2.451 180.055 177.584 0.032 0.000 1.186 526 A CA 2.009 54.061 52.037 0.026 0.000 0.620 526 A CB -1.471 17.538 19.000 0.014 0.000 0.822 526 A HN 0.464 nan 8.150 nan 0.000 0.443 527 G N -0.789 108.031 108.800 0.033 0.000 2.408 527 G HA2 0.050 4.010 3.960 -0.000 0.000 0.217 527 G HA3 0.050 4.010 3.960 -0.000 0.000 0.217 527 G C 1.681 176.611 174.900 0.049 0.000 1.150 527 G CA 1.362 46.483 45.100 0.035 0.000 0.776 527 G HN 0.788 nan 8.290 nan 0.000 0.542 528 A N 0.519 123.380 122.820 0.069 0.000 1.898 528 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 528 A C 2.412 180.049 177.584 0.088 0.000 1.181 528 A CA 1.026 53.129 52.037 0.109 0.000 0.620 528 A CB -0.361 18.710 19.000 0.118 0.000 0.819 528 A HN 0.337 nan 8.150 nan 0.000 0.442 529 L N -1.045 120.225 121.223 0.078 0.000 2.012 529 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 529 L C 2.887 179.787 176.870 0.049 0.000 1.073 529 L CA 1.829 56.724 54.840 0.092 0.000 0.748 529 L CB -0.453 41.672 42.059 0.111 0.000 0.891 529 L HN 0.439 nan 8.230 nan 0.000 0.431 530 Q N 0.298 120.114 119.800 0.027 0.000 2.084 530 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 530 Q C 2.266 178.226 176.000 -0.067 0.000 0.978 530 Q CA 1.675 57.477 55.803 -0.002 0.000 0.844 530 Q CB -0.046 28.695 28.738 0.005 0.000 0.898 530 Q HN 0.255 nan 8.270 nan 0.000 0.426 531 R N -0.659 119.782 120.500 -0.098 0.000 2.096 531 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 531 R C 2.219 178.184 176.300 -0.558 0.000 1.127 531 R CA 1.045 56.999 56.100 -0.244 0.000 0.968 531 R CB -0.435 29.778 30.300 -0.143 0.000 0.861 531 R HN 0.327 nan 8.270 nan 0.000 0.440 532 A N 1.295 123.844 122.820 -0.452 0.000 1.877 532 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 532 A C 2.133 179.585 177.584 -0.220 0.000 1.186 532 A CA 1.238 53.032 52.037 -0.404 0.000 0.620 532 A CB -0.487 18.489 19.000 -0.041 0.000 0.822 532 A HN 0.176 nan 8.150 nan 0.000 0.443 533 I N 0.023 120.521 120.570 -0.119 0.000 2.163 533 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 533 I C 1.780 177.843 176.117 -0.091 0.000 1.085 533 I CA 1.611 62.867 61.300 -0.073 0.000 1.347 533 I CB -0.535 37.457 38.000 -0.014 0.000 1.044 533 I HN 0.258 nan 8.210 nan 0.000 0.408 534 D N 0.499 120.830 120.400 -0.115 0.000 2.221 534 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 534 D C 2.347 178.585 176.300 -0.104 0.000 0.982 534 D CA 1.709 55.651 54.000 -0.097 0.000 0.857 534 D CB -0.223 40.518 40.800 -0.098 0.000 0.934 534 D HN 0.393 nan 8.370 nan 0.000 0.475 535 S N -0.520 115.078 115.700 -0.170 0.000 2.423 535 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 535 S C 1.979 176.561 174.600 -0.030 0.000 1.014 535 S CA 1.285 59.422 58.200 -0.106 0.000 0.965 535 S CB -0.281 62.833 63.200 -0.143 0.000 0.785 535 S HN 0.340 nan 8.310 nan 0.000 0.495 536 G N 0.879 109.659 108.800 -0.034 0.000 2.189 536 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.267 536 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.267 536 G C 0.014 174.928 174.900 0.024 0.000 0.975 536 G CA 0.750 45.847 45.100 -0.005 0.000 0.644 536 G HN 0.656 nan 8.290 nan 0.000 0.537 537 K N 0.866 121.296 120.400 0.050 0.000 2.185 537 K HA 0.552 4.872 4.320 -0.000 0.000 0.240 537 K C -2.381 174.295 176.600 0.128 0.000 0.983 537 K CA -2.194 54.155 56.287 0.104 0.000 0.873 537 K CB 1.763 34.352 32.500 0.147 0.000 1.118 537 K HN -0.041 nan 8.250 nan 0.000 0.441 538 P HA -0.019 nan 4.420 nan 0.000 0.266 538 P C -1.366 176.121 177.300 0.312 0.000 1.195 538 P CA 0.019 63.267 63.100 0.246 0.000 0.768 538 P CB 0.712 32.626 31.700 0.356 0.000 0.838 539 A N 2.943 125.945 122.820 0.304 0.000 2.435 539 A HA 0.688 5.007 4.320 -0.000 0.000 0.304 539 A C -1.539 176.204 177.584 0.266 0.000 1.064 539 A CA -0.663 51.556 52.037 0.302 0.000 0.727 539 A CB 1.276 20.440 19.000 0.273 0.000 1.284 539 A HN 0.483 nan 8.150 nan 0.000 0.415 540 L N 2.358 123.680 121.223 0.165 0.000 2.372 540 L HA 0.673 5.013 4.340 -0.000 0.000 0.274 540 L C -1.350 175.524 176.870 0.008 0.000 0.988 540 L CA -0.191 54.681 54.840 0.053 0.000 0.833 540 L CB 1.144 43.175 42.059 -0.046 0.000 1.236 540 L HN 0.585 nan 8.230 nan 0.000 0.410 541 I N 4.148 124.710 120.570 -0.013 0.000 2.354 541 I HA 0.347 4.516 4.170 -0.000 0.000 0.286 541 I C -0.070 176.001 176.117 -0.077 0.000 1.007 541 I CA -0.487 60.811 61.300 -0.004 0.000 1.167 541 I CB 1.662 39.688 38.000 0.044 0.000 1.320 541 I HN 0.596 nan 8.210 nan 0.000 0.458 542 E N 7.641 127.812 120.200 -0.049 0.000 2.194 542 E HA 0.419 4.769 4.350 -0.000 0.000 0.284 542 E C -1.000 175.599 176.600 -0.002 0.000 1.035 542 E CA -0.367 56.005 56.400 -0.047 0.000 0.836 542 E CB 0.820 30.533 29.700 0.022 0.000 1.070 542 E HN 0.510 nan 8.360 nan 0.000 0.401 543 I N 7.191 127.769 120.570 0.012 0.000 2.466 543 I HA 0.280 4.450 4.170 -0.000 0.000 0.279 543 I C -2.321 173.863 176.117 0.111 0.000 1.033 543 I CA -2.562 58.790 61.300 0.087 0.000 1.123 543 I CB 1.602 39.709 38.000 0.179 0.000 1.237 543 I HN 0.342 nan 8.210 nan 0.000 0.460 544 P HA 0.100 nan 4.420 nan 0.000 0.268 544 P C -0.499 176.821 177.300 0.032 0.000 1.204 544 P CA -0.023 63.104 63.100 0.045 0.000 0.768 544 P CB 0.894 32.604 31.700 0.017 0.000 0.842 545 V N -0.162 119.759 119.914 0.010 0.000 3.167 545 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 545 V C -0.124 175.930 176.094 -0.066 0.000 1.207 545 V CA -1.071 61.206 62.300 -0.039 0.000 1.059 545 V CB 1.588 33.364 31.823 -0.079 0.000 1.079 545 V HN 0.538 nan 8.190 nan 0.000 0.446 546 S N 0.100 115.748 115.700 -0.086 0.000 2.614 546 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 546 S C 0.624 175.148 174.600 -0.126 0.000 1.303 546 S CA -0.071 58.062 58.200 -0.111 0.000 1.000 546 S CB 0.827 63.968 63.200 -0.100 0.000 0.935 546 S HN 0.823 nan 8.310 nan 0.000 0.551 547 K N 0.257 120.530 120.400 -0.212 0.000 2.283 547 K HA -0.033 4.286 4.320 -0.000 0.000 0.202 547 K C 1.675 178.206 176.600 -0.115 0.000 1.048 547 K CA 1.452 57.590 56.287 -0.249 0.000 0.948 547 K CB -0.325 31.807 32.500 -0.614 0.000 0.742 547 K HN 0.907 nan 8.250 nan 0.000 0.458 548 T N -3.083 111.423 114.554 -0.081 0.000 2.959 548 T HA -0.007 4.343 4.350 -0.000 0.000 0.254 548 T C 0.732 175.460 174.700 0.047 0.000 1.003 548 T CA -0.456 61.663 62.100 0.031 0.000 0.950 548 T CB 0.171 69.068 68.868 0.048 0.000 1.090 548 T HN 0.020 nan 8.240 nan 0.000 0.503 549 Q N 1.390 121.196 119.800 0.011 0.000 2.300 549 Q HA 0.423 4.763 4.340 -0.000 0.000 0.280 549 Q C 0.789 176.811 176.000 0.036 0.000 1.033 549 Q CA 1.189 57.010 55.803 0.030 0.000 0.903 549 Q CB -0.175 28.558 28.738 -0.008 0.000 1.195 549 Q HN 0.681 nan 8.270 nan 0.000 0.386 550 G N 2.396 111.247 108.800 0.085 0.000 2.460 550 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.207 550 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.207 550 G C 0.272 175.203 174.900 0.051 0.000 1.170 550 G CA -0.146 44.990 45.100 0.060 0.000 1.151 550 G HN 0.773 nan 8.290 nan 0.000 0.575 551 L N 0.685 121.896 121.223 -0.020 0.000 2.010 551 L HA 0.000 4.340 4.340 -0.000 0.000 0.219 551 L C 2.953 179.842 176.870 0.033 0.000 1.077 551 L CA 3.544 58.362 54.840 -0.037 0.000 0.773 551 L CB -0.458 41.548 42.059 -0.088 0.000 0.892 551 L HN 1.331 nan 8.230 nan 0.000 0.436 552 A N -2.595 120.252 122.820 0.045 0.000 2.238 552 A HA 0.083 4.403 4.320 -0.000 0.000 0.208 552 A C 1.863 179.463 177.584 0.026 0.000 1.177 552 A CA 1.072 53.132 52.037 0.038 0.000 0.804 552 A CB -0.042 19.000 19.000 0.070 0.000 0.823 552 A HN 0.557 nan 8.150 nan 0.000 0.482 553 S N -1.004 114.729 115.700 0.055 0.000 2.882 553 S HA 0.105 4.575 4.470 -0.000 0.000 0.258 553 S C -0.175 174.478 174.600 0.088 0.000 1.081 553 S CA -0.462 57.777 58.200 0.066 0.000 0.886 553 S CB 0.144 63.402 63.200 0.098 0.000 0.855 553 S HN 0.490 nan 8.310 nan 0.000 0.467 554 D N 4.146 124.627 120.400 0.135 0.000 2.348 554 D HA 0.237 4.877 4.640 -0.000 0.000 0.253 554 D C -2.487 173.861 176.300 0.080 0.000 1.161 554 D CA -0.977 53.148 54.000 0.209 0.000 0.876 554 D CB 0.965 42.004 40.800 0.399 0.000 1.160 554 D HN 0.182 nan 8.370 nan 0.000 0.459 555 P HA 0.039 nan 4.420 nan 0.000 0.279 555 P C 0.424 177.561 177.300 -0.272 0.000 1.318 555 P CA -0.323 62.710 63.100 -0.112 0.000 0.819 555 P CB 0.810 32.455 31.700 -0.091 0.000 0.927 556 V N -0.126 119.678 119.914 -0.184 0.000 3.176 556 V HA 0.528 4.648 4.120 -0.000 0.000 0.332 556 V C 1.118 177.098 176.094 -0.190 0.000 1.414 556 V CA 0.363 62.537 62.300 -0.211 0.000 1.133 556 V CB -0.395 31.361 31.823 -0.113 0.000 1.088 556 V HN 0.667 nan 8.190 nan 0.000 0.473 557 G N -0.277 108.428 108.800 -0.158 0.000 2.141 557 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.242 557 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.242 557 G C 0.626 175.458 174.900 -0.113 0.000 0.982 557 G CA 0.055 45.068 45.100 -0.145 0.000 0.662 557 G HN 1.490 nan 8.290 nan 0.000 0.527 558 G N -1.041 107.712 108.800 -0.079 0.000 2.569 558 G HA2 0.579 4.539 3.960 -0.000 0.000 0.249 558 G HA3 0.579 4.539 3.960 -0.000 0.000 0.249 558 G C 1.186 176.048 174.900 -0.063 0.000 1.216 558 G CA 0.710 45.782 45.100 -0.047 0.000 0.845 558 G HN 1.426 nan 8.290 nan 0.000 0.568 559 V N -1.090 118.783 119.914 -0.067 0.000 3.556 559 V HA 0.676 4.796 4.120 -0.000 0.000 0.287 559 V C 0.848 176.882 176.094 -0.099 0.000 1.422 559 V CA 0.925 63.182 62.300 -0.073 0.000 1.038 559 V CB -0.125 31.664 31.823 -0.058 0.000 0.850 559 V HN 1.201 nan 8.190 nan 0.000 0.437 560 G N 0.291 109.003 108.800 -0.148 0.000 2.634 560 G HA2 0.630 4.589 3.960 -0.000 0.000 0.309 560 G HA3 0.630 4.589 3.960 -0.000 0.000 0.309 560 G C -3.407 171.192 174.900 -0.501 0.000 1.299 560 G CA -0.641 44.313 45.100 -0.244 0.000 0.798 560 G HN 0.118 nan 8.290 nan 0.000 0.490 561 P HA 0.228 nan 4.420 nan 0.000 0.286 561 P C -0.565 176.560 177.300 -0.292 0.000 1.293 561 P CA -0.508 62.332 63.100 -0.433 0.000 0.770 561 P CB 0.641 32.055 31.700 -0.476 0.000 1.206 562 N N -0.160 118.453 118.700 -0.146 0.000 3.298 562 N HA 0.113 4.852 4.740 -0.000 0.000 0.292 562 N C 0.797 176.264 175.510 -0.071 0.000 1.271 562 N CA 0.020 53.014 53.050 -0.092 0.000 1.184 562 N CB -1.135 37.329 38.487 -0.038 0.000 1.452 562 N HN 0.251 nan 8.380 nan 0.000 0.534 563 L N 0.085 121.237 121.223 -0.118 0.000 2.156 563 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 563 L C 0.648 177.486 176.870 -0.053 0.000 1.095 563 L CA 0.773 55.571 54.840 -0.071 0.000 0.770 563 L CB -0.042 41.946 42.059 -0.120 0.000 0.914 563 L HN 0.403 nan 8.230 nan 0.000 0.439 564 L N 2.539 123.717 121.223 -0.075 0.000 2.956 564 L HA 0.227 4.567 4.340 -0.000 0.000 0.232 564 L C -0.310 176.518 176.870 -0.070 0.000 1.291 564 L CA -0.800 53.988 54.840 -0.087 0.000 1.122 564 L CB 0.059 42.067 42.059 -0.086 0.000 1.461 564 L HN 0.086 nan 8.230 nan 0.000 0.470 565 L N -1.155 120.041 121.223 -0.045 0.000 2.473 565 L HA 0.339 4.678 4.340 -0.000 0.000 0.268 565 L C 0.241 177.094 176.870 -0.028 0.000 1.215 565 L CA 0.061 54.885 54.840 -0.027 0.000 0.823 565 L CB -0.017 42.037 42.059 -0.008 0.000 1.099 565 L HN 0.033 nan 8.230 nan 0.000 0.483 566 K N 1.664 122.053 120.400 -0.019 0.000 2.183 566 K HA 0.513 4.833 4.320 -0.000 0.000 0.274 566 K C 0.183 176.782 176.600 -0.001 0.000 1.009 566 K CA -0.078 56.200 56.287 -0.014 0.000 0.888 566 K CB 1.545 34.036 32.500 -0.016 0.000 1.078 566 K HN 0.977 nan 8.250 nan 0.000 0.459 567 G N 2.387 111.191 108.800 0.007 0.000 2.569 567 G HA2 0.204 4.164 3.960 -0.000 0.000 0.249 567 G HA3 0.204 4.164 3.960 -0.000 0.000 0.249 567 G C -0.268 174.636 174.900 0.007 0.000 1.216 567 G CA -0.467 44.639 45.100 0.011 0.000 0.845 567 G HN 0.441 nan 8.290 nan 0.000 0.568 568 R N -0.228 120.277 120.500 0.008 0.000 2.668 568 R HA 0.287 4.627 4.340 -0.000 0.000 0.279 568 R C -0.270 176.035 176.300 0.008 0.000 0.976 568 R CA -0.709 55.395 56.100 0.006 0.000 0.978 568 R CB 2.110 32.413 30.300 0.006 0.000 1.133 568 R HN 0.705 nan 8.270 nan 0.000 0.484 569 E N 3.134 123.338 120.200 0.007 0.000 2.259 569 E HA 0.112 4.462 4.350 -0.000 0.000 0.281 569 E C -0.584 176.023 176.600 0.010 0.000 1.037 569 E CA -0.407 55.999 56.400 0.009 0.000 0.854 569 E CB 0.616 30.321 29.700 0.007 0.000 1.051 569 E HN 0.260 nan 8.360 nan 0.000 0.409 570 I N 6.739 127.318 120.570 0.014 0.000 2.377 570 I HA 0.289 4.459 4.170 -0.000 0.000 0.293 570 I C -1.908 174.221 176.117 0.019 0.000 0.987 570 I CA -2.806 58.503 61.300 0.016 0.000 1.185 570 I CB 0.785 38.796 38.000 0.019 0.000 1.341 570 I HN 0.559 nan 8.210 nan 0.000 0.455 571 P HA 0.102 nan 4.420 nan 0.000 0.268 571 P C -0.362 176.954 177.300 0.027 0.000 1.204 571 P CA -0.128 62.983 63.100 0.018 0.000 0.768 571 P CB 0.887 32.594 31.700 0.012 0.000 0.842 572 V N -0.125 119.811 119.914 0.037 0.000 2.583 572 V HA 0.248 4.367 4.120 -0.000 0.000 0.287 572 V C 0.241 176.351 176.094 0.027 0.000 1.051 572 V CA -0.755 61.577 62.300 0.054 0.000 1.010 572 V CB 0.759 32.636 31.823 0.090 0.000 0.988 572 V HN 0.465 nan 8.190 nan 0.000 0.478 573 D N 4.065 124.466 120.400 0.003 0.000 2.382 573 D HA 0.112 4.752 4.640 -0.000 0.000 0.259 573 D C 1.175 177.456 176.300 -0.033 0.000 1.224 573 D CA 0.733 54.714 54.000 -0.031 0.000 0.894 573 D CB 1.284 42.038 40.800 -0.075 0.000 1.127 573 D HN 0.964 nan 8.370 nan 0.000 0.487 574 T N 0.169 114.711 114.554 -0.020 0.000 3.134 574 T HA 0.267 4.617 4.350 -0.000 0.000 0.260 574 T C 1.781 176.467 174.700 -0.023 0.000 1.027 574 T CA -0.041 62.050 62.100 -0.014 0.000 0.913 574 T CB 0.361 69.228 68.868 -0.001 0.000 1.046 574 T HN 0.299 nan 8.240 nan 0.000 0.553 575 G N 1.546 110.325 108.800 -0.035 0.000 2.499 575 G HA2 0.243 4.202 3.960 -0.000 0.000 0.221 575 G HA3 0.243 4.202 3.960 -0.000 0.000 0.221 575 G C 1.343 176.220 174.900 -0.039 0.000 1.109 575 G CA 0.543 45.621 45.100 -0.036 0.000 0.749 575 G HN 1.223 nan 8.290 nan 0.000 0.568 576 G N -1.177 107.596 108.800 -0.046 0.000 2.316 576 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.203 576 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.203 576 G C 0.735 175.596 174.900 -0.066 0.000 0.999 576 G CA 0.645 45.717 45.100 -0.047 0.000 0.649 576 G HN 1.502 nan 8.290 nan 0.000 0.489 577 S N 0.975 116.627 115.700 -0.080 0.000 2.579 577 S HA 0.720 5.190 4.470 -0.000 0.000 0.275 577 S C 0.610 175.134 174.600 -0.126 0.000 1.345 577 S CA -0.028 58.114 58.200 -0.096 0.000 1.031 577 S CB 1.030 64.171 63.200 -0.097 0.000 0.892 577 S HN 0.437 nan 8.310 nan 0.000 0.529 578 M N 1.413 120.951 119.600 -0.104 0.000 2.613 578 M HA 0.405 4.885 4.480 -0.000 0.000 0.301 578 M C -0.876 175.359 176.300 -0.109 0.000 1.205 578 M CA -0.646 54.614 55.300 -0.067 0.000 0.950 578 M CB 0.960 33.564 32.600 0.007 0.000 1.585 578 M HN 0.713 nan 8.290 nan 0.000 0.490 579 Y N 0.357 120.675 120.300 0.030 0.000 2.314 579 Y HA 0.231 4.781 4.550 -0.000 0.000 0.334 579 Y C -1.791 174.122 175.900 0.021 0.000 1.266 579 Y CA -1.593 56.520 58.100 0.022 0.000 1.391 579 Y CB -0.268 38.206 38.460 0.023 0.000 1.306 579 Y HN 0.379 nan 8.280 nan 0.000 0.558 580 P HA 0.049 nan 4.420 nan 0.000 0.265 580 P C 0.695 178.055 177.300 0.100 0.000 1.193 580 P CA 1.361 64.525 63.100 0.107 0.000 0.765 580 P CB 0.439 32.188 31.700 0.081 0.000 0.823 581 G N 2.158 111.001 108.800 0.073 0.000 2.245 581 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 581 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 581 G C 1.132 176.079 174.900 0.079 0.000 0.985 581 G CA 0.541 45.678 45.100 0.060 0.000 0.625 581 G HN 0.592 nan 8.290 nan 0.000 0.536 582 E N 1.213 121.487 120.200 0.123 0.000 2.204 582 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 582 E C 2.323 179.052 176.600 0.216 0.000 0.990 582 E CA 1.408 57.908 56.400 0.168 0.000 0.821 582 E CB -0.363 29.485 29.700 0.247 0.000 0.750 582 E HN 0.852 nan 8.360 nan 0.000 0.477 583 N N 0.384 119.180 118.700 0.160 0.000 2.132 583 N HA -0.245 4.495 4.740 -0.000 0.000 0.191 583 N C 1.857 177.450 175.510 0.138 0.000 1.015 583 N CA 1.629 54.769 53.050 0.149 0.000 0.864 583 N CB -0.533 37.997 38.487 0.072 0.000 1.006 583 N HN 0.199 nan 8.380 nan 0.000 0.430 584 L N -0.100 121.174 121.223 0.085 0.000 2.201 584 L HA -0.039 4.300 4.340 -0.000 0.000 0.212 584 L C 1.993 178.878 176.870 0.026 0.000 1.105 584 L CA 0.706 55.575 54.840 0.049 0.000 0.775 584 L CB -0.388 41.687 42.059 0.027 0.000 0.913 584 L HN 0.319 nan 8.230 nan 0.000 0.440 585 L N -1.245 119.981 121.223 0.005 0.000 2.478 585 L HA -0.094 4.246 4.340 -0.000 0.000 0.223 585 L C 1.935 178.655 176.870 -0.249 0.000 1.140 585 L CA 0.419 55.187 54.840 -0.121 0.000 0.842 585 L CB -0.515 41.438 42.059 -0.176 0.000 0.953 585 L HN 0.378 nan 8.230 nan 0.000 0.452 586 H N -0.283 118.795 119.070 0.014 0.000 2.586 586 H HA 0.296 4.851 4.556 -0.000 0.000 0.273 586 H C 0.525 175.858 175.328 0.008 0.000 0.997 586 H CA -0.130 55.925 56.048 0.011 0.000 1.177 586 H CB 0.575 30.344 29.762 0.013 0.000 1.471 586 H HN 0.231 nan 8.280 nan 0.000 0.538 587 L N 1.675 122.945 121.223 0.079 0.000 2.350 587 L HA 0.216 4.556 4.340 -0.000 0.000 0.275 587 L C 0.489 177.372 176.870 0.022 0.000 1.099 587 L CA -0.243 54.626 54.840 0.048 0.000 0.808 587 L CB 0.793 42.873 42.059 0.036 0.000 1.149 587 L HN -0.145 nan 8.230 nan 0.000 0.442 588 K N 0.000 120.412 120.400 0.020 0.000 2.780 588 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 588 K CA 0.000 56.293 56.287 0.009 0.000 0.838 588 K CB 0.000 32.508 32.500 0.013 0.000 1.064 588 K HN 0.000 nan 8.250 nan 0.000 0.543